UCSF

ZINC39121728

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 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) 0.20 -2.16 -12.02 3 6 0 91 232.261 4
Mid Mid (pH 6-8) 0.20 -2.17 -40.66 2 6 -1 93 231.253 4

Activity (Go SEA)

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