UCSF

ZINC34559156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 3.52 4.27 -50.15 0 6 -1 87 341.368 3
Lo Low (pH 4.5-6) 3.52 4.92 -14.82 1 6 0 85 342.376 3

Activity (Go SEA)

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