UCSF

ZINC33701481

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 19 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) 1.52 1.31 -41.51 0 6 -1 80 277.281 3
Mid Mid (pH 6-8) 1.52 1.18 -10.93 1 6 0 78 278.289 3

Activity (Go SEA)

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