UCSF

ZINC19425852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 0.63 5.49 -31.06 4 4 1 68 219.312 2
Mid Mid (pH 6-8) 0.63 4.77 -8.47 3 4 0 66 218.304 2

Activity (Go SEA)

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