UCSF

ZINC34556668

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 1.37 7.7 -62.75 2 5 1 60 336.444 1
Hi High (pH 8-9.5) 1.37 6.33 -12.68 1 5 0 55 335.436 1
Mid Mid (pH 6-8) 1.37 8.62 -101.6 3 5 2 61 337.452 1

Activity (Go SEA)

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