UCSF

ZINC69184423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 18 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) 1.59 0.72 -48.72 2 6 -1 101 268.318 6
Mid Mid (pH 6-8) 1.14 2.78 -10.78 3 6 0 98 269.326 6
Lo Low (pH 4.5-6) 1.14 3 -53.18 4 6 1 100 270.334 6

Activity (Go SEA)

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

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