UCSF

ZINC12402279

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 35 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) 3.45 11.12 -24.25 3 6 0 99 478.474 2
Hi High (pH 8-9.5) 3.63 9.2 -77.99 2 6 -1 106 477.466 2

Activity (Go SEA)

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