UCSF

ZINC54243750

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 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) 0.45 3.77 -33.85 2 4 1 35 231.36 8
Mid Mid (pH 6-8) 0.45 4.65 -105.03 3 4 2 40 232.368 8
Mid Mid (pH 6-8) 0.45 3.08 -34.43 2 4 1 38 231.36 8

Activity (Go SEA)

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