UCSF

ZINC69236737

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 1.25 4.68 -44.86 3 4 1 55 252.363 6
Mid Mid (pH 6-8) 1.25 3.94 -29.32 3 4 1 51 252.363 6
Mid Mid (pH 6-8) 1.25 3.24 -8.4 2 4 0 50 251.355 6

Activity (Go SEA)

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

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