UCSF

ZINC19454540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) -2.65 6.24 -29.14 3 9 1 106 411.486 5
Mid Mid (pH 6-8) -2.65 8.59 -81.59 4 9 2 107 412.494 5

Activity (Go SEA)

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