UCSF

ZINC35421941

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 23 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) 1.49 7.38 -51.96 2 5 1 57 383.31 6
Mid Mid (pH 6-8) 1.49 6.08 -13.2 1 5 0 53 382.302 6

Activity (Go SEA)

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