UCSF

ZINC37796957

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) -0.89 1.64 -80.89 4 5 0 97 200.238 6
Lo Low (pH 4.5-6) -0.89 -0.38 -50.95 5 5 1 94 201.246 6

Activity (Go SEA)

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