UCSF

ZINC36878247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 3.07 8.52 -84.56 5 3 2 58 273.424 7
Mid Mid (pH 6-8) 3.07 8.5 -46.83 4 3 1 56 272.416 7

Activity (Go SEA)

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