UCSF

ZINC34667853

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 33 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) 4.81 13.45 -45.4 2 5 1 50 455.504 6
Mid Mid (pH 6-8) 4.81 11.23 -10.36 1 5 0 48 454.496 6

Activity (Go SEA)

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