UCSF

ZINC17189041

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 14 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) 1.88 8.14 -25.6 2 6 1 72 229.314 2
Hi High (pH 8-9.5) 1.88 7.91 -11.61 1 6 0 70 228.306 2
Mid Mid (pH 6-8) 1.88 8.56 -91.71 3 6 2 73 230.322 2

Activity (Go SEA)

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

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