UCSF

ZINC08974249

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 3.77 10.36 -9.74 2 5 0 54 347.484 7
Hi High (pH 8-9.5) 3.02 9.28 -38.48 1 5 -1 60 346.476 6

Activity (Go SEA)

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