UCSF

ZINC06794353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 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) 4.62 13.11 -48.05 2 6 0 84 418.493 9
Mid Mid (pH 6-8) 4.62 11.74 -56.27 1 6 -1 79 417.485 9

Activity (Go SEA)

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