UCSF

ZINC62942721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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) 2.34 9.36 -81.06 3 4 2 37 310.511 4
Hi High (pH 8-9.5) 2.34 6.58 -5.64 1 4 0 31 308.495 4
Mid Mid (pH 6-8) 2.34 7.79 -36.8 2 4 1 36 309.503 4

Activity (Go SEA)

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

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