UCSF

ZINC69232340

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 20 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) -1.88 7.64 -79.72 3 6 1 79 279.364 6
Hi High (pH 8-9.5) -1.88 8.05 -46.48 2 6 0 78 278.356 6
Hi High (pH 8-9.5) -1.88 7.51 -41.46 2 6 0 74 278.356 6
Mid Mid (pH 6-8) -1.88 8.51 -53.03 3 6 1 79 279.364 6

Activity (Go SEA)

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

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