UCSF

ZINC69161169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 22 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) 1.65 4.9 -30.11 3 7 1 90 302.358 6
Mid Mid (pH 6-8) 1.65 4.47 -12.3 2 7 0 89 301.35 6

Activity (Go SEA)

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

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