UCSF

ZINC41201079

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 13 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) 0.38 5.29 -10.58 0 3 0 51 179.267 6
Mid Mid (pH 6-8) 0.38 7.03 -60.38 1 3 1 52 180.275 6

Activity (Go SEA)

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