UCSF

ZINC15220927

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 17 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) 0.68 2.9 -9.84 2 8 0 106 238.203 3
Mid Mid (pH 6-8) 1.03 1.91 -93.71 0 8 -2 109 236.187 3
Mid Mid (pH 6-8) 1.03 1.85 -34.8 1 8 -1 111 237.195 3

Activity (Go SEA)

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

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