UCSF

ZINC37869947

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 0.24 0.78 -42.47 4 6 1 87 255.294 6
Mid Mid (pH 6-8) 0.24 -0.34 -9.64 3 6 0 83 254.286 6

Activity (Go SEA)

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