UCSF

ZINC53129652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 0.52 3.32 -48.43 2 5 1 68 245.306 3
Lo Low (pH 4.5-6) 0.52 3.78 -90.94 3 5 2 70 246.314 3

Activity (Go SEA)

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