UCSF

ZINC37335915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.14 3.88 -40.6 3 4 1 62 238.307 5
Hi High (pH 8-9.5) 2.14 3 -52.92 1 4 -1 64 236.291 5
Mid Mid (pH 6-8) 2.14 4.89 -55.55 2 4 0 65 237.299 5
Mid Mid (pH 6-8) 2.14 1.99 -9.42 2 4 0 61 237.299 5

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Rings

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