UCSF

ZINC01230427

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 25 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) 4.43 6.98 -15.41 3 5 0 74 357.841 7
Hi High (pH 8-9.5) 4.43 7.6 -55.31 2 5 -1 77 356.833 7

Activity (Go SEA)

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