UCSF

ZINC37984943

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 1.84 3.2 -48.65 3 4 1 55 339.275 10
Mid Mid (pH 6-8) 1.84 1.84 -7.65 2 4 0 51 338.267 10

Activity (Go SEA)

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