UCSF

ZINC43968827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 4.00 7.44 -35.31 2 3 1 29 285.496 10
Hi High (pH 8-9.5) 4.01 9.52 -28.27 2 3 1 26 285.496 10

Activity (Go SEA)

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