UCSF

ZINC13860007

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 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) 0.90 6.81 -13.57 2 7 0 96 249.274 6
Lo Low (pH 4.5-6) 0.90 7.06 -38.3 3 7 1 97 250.282 6
Lo Low (pH 4.5-6) 0.90 2.65 -34.27 3 7 1 97 250.282 6

Activity (Go SEA)

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