UCSF

ZINC20468163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 18 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) 1.11 4.09 -13.54 1 4 0 60 241.294 4
Mid Mid (pH 6-8) 1.11 4.51 -35.72 2 4 1 61 242.302 4

Activity (Go SEA)

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