UCSF

ZINC33881690

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 37 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) 0.80 4.68 -44.47 6 15 1 203 513.539 10
Hi High (pH 8-9.5) 0.80 2.47 -21.03 5 15 0 202 512.531 10

Activity (Go SEA)

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