UCSF

ZINC43286289

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 19 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) 1.78 4.17 -45.9 3 3 1 40 348.33 5
Hi High (pH 8-9.5) 1.79 3.82 -2.11 2 3 0 38 347.322 5

Activity (Go SEA)

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