UCSF

ZINC59635716

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 20 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) 2.67 3.92 -5.86 5 4 0 76 271.364 4
Mid Mid (pH 6-8) 2.67 3.74 -20.45 6 4 0 77 272.372 4

Activity (Go SEA)

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