UCSF

ZINC33816943

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 27 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) 5.68 13.88 -7.02 0 2 0 8 417.405 4
Mid Mid (pH 6-8) 5.68 15.92 -38.2 1 2 1 9 418.413 4

Activity (Go SEA)

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