UCSF

ZINC03767185

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 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) 0.09 -1.37 -53.84 2 9 -1 128 324.342 7
Hi High (pH 8-9.5) 0.27 -1.11 -44.25 2 9 -1 128 324.342 6
Mid Mid (pH 6-8) 0.09 -1.4 -121.92 1 9 -2 126 323.334 7

Activity (Go SEA)

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

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