UCSF

ZINC01889882

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 28 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) 3.71 10.32 -29.98 2 6 1 74 397.886 6
Mid Mid (pH 6-8) 3.71 10.86 -30.43 3 6 1 77 397.886 6
Mid Mid (pH 6-8) 3.71 9.84 -15.27 1 6 0 73 396.878 6
Lo Low (pH 4.5-6) 3.71 10.17 -35.65 2 6 1 74 397.886 6

Activity (Go SEA)

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