UCSF

ZINC06415915

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 21 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) 2.69 1.37 -12.41 1 6 0 78 328.777 5
Hi High (pH 8-9.5) 2.69 1.47 -43.36 0 6 -1 80 327.769 5
Lo Low (pH 4.5-6) 2.69 2.1 -35.56 2 6 1 79 329.785 5

Activity (Go SEA)

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