UCSF

ZINC37788512

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.50 5.24 -51.32 1 6 -1 91 249.246 4
Lo Low (pH 4.5-6) 0.50 3.71 -20.04 2 6 0 88 250.254 4

Activity (Go SEA)

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