UCSF

ZINC13284644

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 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) 6.29 13.24 -8.84 1 2 0 29 324.427 3
Mid Mid (pH 6-8) 6.29 13.64 -26.1 2 2 1 30 325.435 3

Activity (Go SEA)

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