UCSF

ZINC62963244

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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 -1.07 -12.96 1 4 0 59 246.357 2
Mid Mid (pH 6-8) 0.17 0.17 -51.87 2 4 1 64 247.365 2

Activity (Go SEA)

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

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