UCSF

ZINC63013419

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.56 8.81 -35.28 1 3 1 31 260.357 2
Mid Mid (pH 6-8) 2.56 7.19 -7.93 0 3 0 30 259.349 2

Activity (Go SEA)

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

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