UCSF

ZINC34686360

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 37 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) 5.05 15.01 -57.02 2 6 1 63 504.695 9
Hi High (pH 8-9.5) 5.24 12.46 -51.5 1 6 0 69 503.687 9

Activity (Go SEA)

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