UCSF

ZINC40953026

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 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) 0.38 7.06 -41.72 3 6 1 63 237.331 2
Mid Mid (pH 6-8) 0.38 7.38 -87.65 4 6 2 64 238.339 2
Mid Mid (pH 6-8) 0.38 7.39 -78.66 4 6 2 64 238.339 2
Mid Mid (pH 6-8) 0.38 4.7 -7.27 2 6 0 62 236.323 2

Activity (Go SEA)

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