UCSF

ZINC62841993

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 0.59 5.86 -107.95 0 6 -2 96 262.265 2
Mid Mid (pH 6-8) 0.59 4.85 -55.42 1 6 -1 94 263.273 2
Mid Mid (pH 6-8) 0.59 3.87 -67.36 1 6 -1 98 263.273 2

Activity (Go SEA)

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

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