UCSF

ZINC63957930

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 23 Yes

Popular Name: 4-[(2S)-2-hydroxy-3-[(2R)-2-(3H-pyrrol-2-yl)pyrrolidin-1-yl]propoxy]benzonitrile 4-[(2S)-2-hydroxy-3-[(2R)-2-(3H-…

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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) 1.77 6.75 -47.43 2 5 1 70 312.393 6 ↓
Mid Mid (pH 6-8) 1.77 4.48 -14.13 1 5 0 69 311.385 6 ↓

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

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