UCSF

ZINC12482645

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 29 Yes

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) 4.97 -7.19 -13.32 2 6 0 92 450.969 6
Hi High (pH 8-9.5) 4.97 6.22 -43.66 1 6 -1 94 449.961 6
Hi High (pH 8-9.5) 4.97 6.22 -40.17 1 6 -1 94 449.961 6
Hi High (pH 8-9.5) 4.97 6.29 -91.4 0 6 -2 96 448.953 6

Activity (Go SEA)

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