UCSF

ZINC65575443

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 16 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) 1.79 6.23 -35.05 1 4 1 40 227.328 7
Mid Mid (pH 6-8) 1.79 4.53 -7.26 0 4 0 39 226.32 7

Activity (Go SEA)

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