UCSF

ZINC01358332

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 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) 2.13 5.03 -14.71 2 5 0 71 249.314 5
Lo Low (pH 4.5-6) 2.13 4.79 -30.72 3 5 1 72 250.322 5

Activity (Go SEA)

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