UCSF

ZINC19435124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 2.17 6.68 -103.34 4 3 2 35 277.456 6
Mid Mid (pH 6-8) 2.17 6.22 -130.74 4 3 2 35 277.456 6
Mid Mid (pH 6-8) 2.17 4.29 -48.44 3 3 1 34 276.448 6

Activity (Go SEA)

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