UCSF

ZINC43704854

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) 0.84 6.06 -49.17 1 5 0 63 231.292 7
Mid Mid (pH 6-8) 0.84 3.72 -47.7 0 5 -1 62 230.284 7

Activity (Go SEA)

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