UCSF

ZINC43800412

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 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) 0.29 3.28 -57.95 3 6 1 73 295.359 5
Hi High (pH 8-9.5) 0.29 1.94 -13.61 2 6 0 69 294.351 5

Activity (Go SEA)

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