UCSF

ZINC21799443

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.61 -0.42 -19.12 5 6 0 115 325.777 4
Mid Mid (pH 6-8) 1.61 -0.36 -46.22 4 6 -1 117 324.769 4

Activity (Go SEA)

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