UCSF

ZINC62979801

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 15 No

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) 0.17 1.38 -39.39 1 4 1 29 213.301 3
Mid Mid (pH 6-8) 0.17 1.19 -38.11 1 4 1 29 213.301 3
Mid Mid (pH 6-8) 0.17 -1.01 -5.85 0 4 0 28 212.293 3

Activity (Go SEA)

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

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