UCSF

ZINC12507730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 30 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) 2.21 9 -47.38 4 9 1 107 410.454 4
Mid Mid (pH 6-8) 2.21 8.49 -21.68 3 9 0 105 409.446 4

Activity (Go SEA)

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