UCSF

ZINC69699249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 25 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) 1.42 7.72 -37.05 2 7 1 79 341.439 3
Mid Mid (pH 6-8) 1.42 7.28 -37.88 2 7 1 79 341.439 3
Mid Mid (pH 6-8) 1.42 7.16 -13.75 1 7 0 78 340.431 3

Activity (Go SEA)

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

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