UCSF

ZINC40130187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 2.80 9.34 -12.53 1 6 0 73 377.492 5
Lo Low (pH 4.5-6) 2.80 9.8 -47.36 2 6 1 74 378.5 5

Activity (Go SEA)

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