UCSF

ZINC62978890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 0.34 6.12 -34.63 3 3 1 34 274.432 4
Hi High (pH 8-9.5) 0.34 4.08 -2.45 2 3 0 32 273.424 4
Mid Mid (pH 6-8) 0.34 6.38 -93.41 4 3 2 35 275.44 4

Activity (Go SEA)

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

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