UCSF

ZINC09515804

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 23 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) 2.42 -6.85 -13.8 1 6 0 83 354.453 5
Hi High (pH 8-9.5) 2.42 -6.27 -46.44 0 6 -1 85 353.445 5

Activity (Go SEA)

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