UCSF

ZINC34894373

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 25 Yes

Popular Name: (3S)-N3-(2,2,2-trifluoroethyl)-N1-[3-[[(3R)-3-(2,2,2-trifluoroethylamino)butyl]amino]propyl]butane-1 (3S)-N3-(2,2,2-trifluoroethyl)-N…

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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) 2.08 4.6 -114.91 6 4 2 57 382.437 16 ↓
Hi High (pH 8-9.5) 2.08 3.25 -44.26 5 4 1 53 381.429 16 ↓
Mid Mid (pH 6-8) 2.08 4.28 -97.31 6 4 2 57 382.437 16 ↓
Mid Mid (pH 6-8) 2.08 5.64 -205.4 7 4 3 62 383.445 16 ↓
Lo Low (pH 4.5-6) 2.08 5.79 -200.17 7 4 3 62 383.445 16 ↓

Activity (Go SEA)

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