UCSF

ZINC04935251

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 21 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) 2.63 7.11 -11.62 1 4 0 51 304.777 5
Lo Low (pH 4.5-6) 2.63 7.39 -46.14 2 4 1 52 305.785 5

Activity (Go SEA)

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