UCSF

ZINC76092442

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2012 25 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) 1.65 3.26 -12.91 3 7 0 96 339.399 5
Mid Mid (pH 6-8) 1.65 3.2 -12.39 3 7 0 96 339.399 5

Activity (Go SEA)

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