UCSF

ZINC45092574

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2010 16 No

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) 3.31 6.76 -8.29 0 2 0 27 285.16 5
Lo Low (pH 4.5-6) 3.31 8.89 -46.78 1 2 1 28 286.168 5

Activity (Go SEA)

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