UCSF

ZINC48008860

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 24 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) 3.69 10.2 -38.69 1 6 1 69 333.408 5
Hi High (pH 8-9.5) 3.69 9.01 -5.9 0 6 0 68 332.4 5

Activity (Go SEA)

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