UCSF

ZINC19891730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 25 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) 3.60 8.36 -38.96 2 4 1 33 403.344 4
Mid Mid (pH 6-8) 3.60 5.9 -6.09 1 4 0 32 402.336 4

Activity (Go SEA)

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