UCSF

ZINC04823535

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 20 No

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) -0.87 -5.41 -26.3 6 9 0 142 299.312 2
Mid Mid (pH 6-8) -0.14 -5.94 -57.69 5 9 -1 140 298.304 2
Lo Low (pH 4.5-6) -0.14 -5.94 -35.98 6 9 1 141 300.32 2
Lo Low (pH 4.5-6) -0.14 -10.33 -36.64 6 9 1 141 300.32 2

Activity (Go SEA)

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