UCSF

ZINC66870370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 28 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) 2.27 6.35 -48.56 2 6 1 55 384.5 7
Mid Mid (pH 6-8) 2.27 4.09 -12.24 1 6 0 54 383.492 7
Mid Mid (pH 6-8) 2.27 6.39 -42.58 2 6 1 55 384.5 7

Activity (Go SEA)

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

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