UCSF

ZINC22041470

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 26 Yes

Popular Name: 1-Piperazinepropanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2); 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanamine dimaleate; 8-Chloro-10-(4-(3-aminopropyl)piperazino)-10,11-dihydrodibenzo( 1-Piperazinepropanamine, 4-(8-ch…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 9.88 -114.57 4 3 2 35 389.996 4 ↓
Hi High (pH 8-9.5) 3.46 7.23 -3.83 2 3 0 32 387.98 4 ↓
Mid Mid (pH 6-8) 3.46 7.61 -45.4 3 3 1 34 388.988 4 ↓
Mid Mid (pH 6-8) 3.46 9.06 -97.06 4 3 2 35 389.996 4 ↓
Mid Mid (pH 6-8) 3.46 9.5 -39.39 3 3 1 34 388.988 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )