UCSF

ZINC59206808

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 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) 5.68 16.6 -44.08 0 2 -1 40 327.488 14
Lo Low (pH 4.5-6) 5.68 14.62 -5.61 1 2 0 37 328.496 14

Activity (Go SEA)

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