UCSF

ZINC24781281

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 32 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) 1.50 6.38 -52.97 3 9 1 93 447.535 10
Hi High (pH 8-9.5) 1.50 4.16 -20.64 2 9 0 92 446.527 10
Hi High (pH 8-9.5) 1.50 6.39 -56.83 3 9 1 93 447.535 10
Lo Low (pH 4.5-6) 1.50 8.66 -136.94 4 9 2 94 448.543 10

Activity (Go SEA)

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