UCSF

ZINC41679728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.23 5.08 -85.4 5 4 2 61 259.438 8
Mid Mid (pH 6-8) 1.23 4.78 -37.64 4 4 1 60 258.43 8

Activity (Go SEA)

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