UCSF

ZINC43408511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 No

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) 1.94 7.16 -42.52 4 4 1 55 291.444 3
Mid Mid (pH 6-8) 1.94 7.47 -94.64 5 4 2 57 292.452 3

Activity (Go SEA)

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