UCSF

ZINC19798141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 2.30 8.07 -38.85 1 4 1 34 277.388 7
Hi High (pH 8-9.5) 2.30 5.76 -10.03 0 4 0 33 276.38 7
Mid Mid (pH 6-8) 2.30 8.07 -39.82 1 4 1 34 277.388 7

Activity (Go SEA)

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