UCSF

ZINC40475694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 25 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) 1.25 4.56 -13.45 1 6 0 62 345.443 4
Mid Mid (pH 6-8) 1.25 6.53 -44.15 2 6 1 63 346.451 4

Activity (Go SEA)

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