UCSF

ZINC34680924

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 3.77 10.97 -21.01 1 8 0 84 496.514 6
Mid Mid (pH 6-8) 3.77 11.26 -52.54 2 8 1 85 497.522 6

Activity (Go SEA)

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