UCSF

ZINC49547618

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 25 Yes

Popular Name: 3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2- 3-[[(3R)-2,3-dihydro-1,4-benzodi…

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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) -2.18 -0.2 -33.9 2 7 1 78 344.391 2 ↓
Hi High (pH 8-9.5) 1.41 1.52 -9.29 1 7 0 75 343.383 3 ↓
Hi High (pH 8-9.5) -2.18 0.57 -15.46 1 7 0 80 343.383 2 ↓
Lo Low (pH 4.5-6) -2.18 2.16 -100.43 3 7 2 79 345.399 2 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.