UCSF

ZINC69100633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 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) -2.16 3.51 -86.97 3 6 1 95 291.393 6
Hi High (pH 8-9.5) -2.16 0.48 -52.84 1 6 -1 90 289.377 6
Hi High (pH 8-9.5) -2.16 3.29 -45.68 2 6 0 91 290.385 6
Mid Mid (pH 6-8) -2.16 1.46 -40.24 2 6 0 94 290.385 6

Activity (Go SEA)

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

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