UCSF

ZINC42187176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 1.54 3.95 -33.95 3 3 1 46 209.313 4
Hi High (pH 8-9.5) 1.73 1.63 -29.68 2 3 0 52 208.305 4

Activity (Go SEA)

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