UCSF

ZINC25449515

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 4.65 8.52 -28.94 2 7 0 101 450.545 6
Hi High (pH 8-9.5) 4.72 7.69 -108.64 0 7 -2 109 448.529 6
Hi High (pH 8-9.5) 4.72 7.62 -57.14 1 7 -1 107 449.537 6
Mid Mid (pH 6-8) 4.65 8.6 -62.89 1 7 -1 103 449.537 6

Activity (Go SEA)

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