UCSF

ZINC16082912

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 19 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) 0.72 6.22 -7.78 2 3 0 46 272.735 2
Mid Mid (pH 6-8) 0.72 6.52 -44.13 3 3 1 48 273.743 2
Mid Mid (pH 6-8) 0.72 6.52 -45.73 3 3 1 48 273.743 2

Activity (Go SEA)

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