UCSF

ZINC13218233

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 24 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) 3.38 7.94 -51.91 0 6 -1 87 338.368 3
Ref Reference (pH 7) 3.38 8.36 -49.51 0 6 -1 87 338.368 3
Lo Low (pH 4.5-6) 3.38 7.71 -77.52 1 6 0 89 339.376 3

Activity (Go SEA)

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