UCSF

ZINC37827554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.71 7.1 -45.98 0 5 -1 65 249.29 3
Lo Low (pH 4.5-6) 0.71 5.12 -10.41 1 5 0 63 250.298 3

Activity (Go SEA)

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