UCSF

ZINC62933609

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 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) 0.28 5.54 -63.61 1 8 0 101 262.273 3
Mid Mid (pH 6-8) 0.28 4.95 -40.79 0 8 -1 99 261.265 3
Lo Low (pH 4.5-6) 0.28 6 -130.05 2 8 1 102 263.281 3

Activity (Go SEA)

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

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