UCSF

ZINC44692940

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 0.93 8.34 -72.02 2 5 0 74 280.368 5
Lo Low (pH 4.5-6) 0.93 5.8 -45.97 3 5 1 71 281.376 5

Activity (Go SEA)

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