UCSF

ZINC69497824

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 2.88 8.01 -36.46 2 3 1 34 236.383 6
Hi High (pH 8-9.5) 2.88 7.58 -4.22 1 3 0 30 235.375 6
Mid Mid (pH 6-8) 2.88 7.99 -27.12 2 3 1 31 236.383 6
Mid Mid (pH 6-8) 2.88 8.35 -99.57 3 3 2 36 237.391 6

Activity (Go SEA)

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

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