UCSF

ZINC23070275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 18 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) 0.40 7.94 -105.9 4 3 2 47 245.37 3
Hi High (pH 8-9.5) 0.40 7.46 -5.81 2 3 0 44 243.354 3
Mid Mid (pH 6-8) 0.40 7.5 -45.87 3 3 1 45 244.362 3

Activity (Go SEA)

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