UCSF

ZINC08205187

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 24 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) 2.83 5.72 -57.13 0 6 -1 87 341.368 5
Lo Low (pH 4.5-6) 2.83 5.7 -15.89 1 6 0 85 342.376 5

Activity (Go SEA)

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