UCSF

ZINC69991633

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 21 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) 0.91 5.38 -86.44 4 5 2 53 295.475 7
Mid Mid (pH 6-8) 0.91 5.36 -105.44 4 5 2 53 295.475 7
Mid Mid (pH 6-8) 0.91 3.3 -45.64 3 5 1 52 294.467 7

Activity (Go SEA)

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

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