UCSF

ZINC59686640

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 16 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) -0.25 0.83 -49.76 2 6 -1 107 233.24 10
Lo Low (pH 4.5-6) -0.25 -1.15 -12.06 3 6 0 104 234.248 10

Activity (Go SEA)

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