UCSF

ZINC37106844

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: (3S)-3-[[(1S,2S)-2-imidazol-1-ylcyclopentyl]amino]indolin-2-one (3S)-3-[[(1S,2S)-2-imidazol-1-yl…

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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) 1.24 7.46 -98.87 4 5 2 65 284.363 3 ↓
Hi High (pH 8-9.5) 1.24 5.67 -13.11 2 5 0 59 282.347 3 ↓
Mid Mid (pH 6-8) 1.24 6.4 -30.38 3 5 1 60 283.355 3 ↓
Mid Mid (pH 6-8) 1.24 6.73 -49.97 3 5 1 64 283.355 3 ↓

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

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