UCSF

ZINC29571597

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2009 27 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) 2.60 7.87 -15.98 1 5 0 68 354.413 5
Mid Mid (pH 6-8) 2.67 6.45 -45.41 2 5 1 73 355.421 5
Lo Low (pH 4.5-6) 2.60 8.24 -49.62 2 5 1 69 355.421 5
Lo Low (pH 4.5-6) 2.67 6.91 -94.92 3 5 2 74 356.429 5

Activity (Go SEA)

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