UCSF

ZINC59538790

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 2.57 2.5 -5.38 4 3 0 58 222.332 7
Mid Mid (pH 6-8) 2.57 3.07 -37.4 5 3 1 63 223.34 7

Activity (Go SEA)

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