UCSF

ZINC72190644

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 15 No

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) 1.17 3.76 -13.48 2 6 0 84 211.221 4
Mid Mid (pH 6-8) 1.17 3.42 -42.57 1 6 -1 82 210.213 4
Mid Mid (pH 6-8) 1.17 3.71 -6.54 2 6 0 84 211.221 4

Activity (Go SEA)

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

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