UCSF

ZINC40188333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.31 7.87 -8.09 1 5 0 56 329.444 6
Mid Mid (pH 6-8) 3.31 8.38 -31.09 2 5 1 57 330.452 6

Activity (Go SEA)

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