UCSF

ZINC69876376

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 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) 0.16 1.51 -35.32 4 8 1 111 300.346 3
Mid Mid (pH 6-8) 0.16 1.39 -13.35 3 8 0 110 299.338 3
Mid Mid (pH 6-8) 0.16 1.57 -35.17 4 8 1 111 300.346 3

Activity (Go SEA)

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

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