UCSF

ZINC40493310

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 1.14 6.92 -47.71 2 3 1 43 238.282 3
Mid Mid (pH 6-8) 1.14 6 -7.94 1 3 0 38 237.274 3

Activity (Go SEA)

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