UCSF

ZINC69100619

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 No

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) 0.81 1.68 -12.64 1 6 0 76 318.439 8
Mid Mid (pH 6-8) 0.81 2.91 -48.12 2 6 1 80 319.447 8
Mid Mid (pH 6-8) 0.81 3.88 -46.61 2 6 0 77 319.447 8

Activity (Go SEA)

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

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