UCSF

ZINC12112441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 34 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) 3.38 -8.21 -22.53 2 8 0 118 490.566 6
Hi High (pH 8-9.5) 3.38 -7.63 -60.87 1 8 -1 120 489.558 6
Hi High (pH 8-9.5) 3.38 -7.05 -122.82 0 8 -2 122 488.55 6

Activity (Go SEA)

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