UCSF

ZINC69238435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 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) 2.88 7.36 -37.02 3 4 1 49 288.415 7
Mid Mid (pH 6-8) 2.88 6.11 -6.59 2 4 0 44 287.407 7
Mid Mid (pH 6-8) 2.88 6.11 -4.83 2 4 0 44 287.407 7

Activity (Go SEA)

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

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