UCSF

ZINC20450321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 31 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) 2.13 9.33 -43.92 2 7 1 67 449.982 5
Hi High (pH 8-9.5) 2.13 6.91 -10.97 1 7 0 66 448.974 5

Activity (Go SEA)

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