UCSF

ZINC49330170

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 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) 1.71 8.54 -52.43 2 3 1 34 242.346 4
Hi High (pH 8-9.5) 1.71 7.39 -6.96 1 3 0 30 241.338 4
Mid Mid (pH 6-8) 1.71 9.02 -102.17 3 3 2 36 243.354 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.