UCSF

ZINC34627236

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 1.40 8.35 -48.99 2 9 1 105 338.388 8
Mid Mid (pH 6-8) 1.40 5.99 -11.49 1 9 0 104 337.38 8

Activity (Go SEA)

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