UCSF

ZINC20939740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 20 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) 0.43 1.65 -18.03 2 6 0 84 297.38 4
Mid Mid (pH 6-8) 0.43 0.76 -56.14 3 6 1 85 298.388 4

Activity (Go SEA)

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