UCSF

ZINC35703224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 38 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) 9.00 19.88 -27.28 2 5 1 57 512.718 9
Mid Mid (pH 6-8) 9.00 19.52 -12.58 1 5 0 56 511.71 9
Mid Mid (pH 6-8) 9.00 19.75 -33.33 2 5 1 60 512.718 9
Lo Low (pH 4.5-6) 9.00 19.98 -90.05 3 5 2 61 513.726 9

Activity (Go SEA)

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