UCSF

ZINC04932570

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 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) 2.20 7.87 -14.79 2 7 0 85 368.466 6
Lo Low (pH 4.5-6) 2.20 8.15 -46.27 3 7 1 86 369.474 6

Activity (Go SEA)

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