UCSF

ZINC46082640

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 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) 4.39 9.76 -10.55 1 3 0 32 282.387 5
Lo Low (pH 4.5-6) 4.39 9.66 -31.45 2 3 0 34 283.395 5

Activity (Go SEA)

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