UCSF

ZINC12741951

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 30 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) 2.33 7.01 -28.37 2 10 0 147 445.482 7
Hi High (pH 8-9.5) 2.33 7.09 -50.73 1 10 -1 149 444.474 7
Hi High (pH 8-9.5) 2.39 6.24 -104.69 0 10 -2 155 443.466 7

Activity (Go SEA)

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