UCSF

ZINC61698356

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 19 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) 1.45 8.48 -57.96 3 3 1 45 272.759 2
Mid Mid (pH 6-8) 1.45 8.15 -8.04 2 3 0 44 271.751 2
Lo Low (pH 4.5-6) 1.45 8.96 -93.07 4 3 2 47 273.767 2

Activity (Go SEA)

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

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