UCSF

ZINC27412010

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 24 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) 1.34 3.39 -46.69 2 8 -1 122 346.344 2
Mid Mid (pH 6-8) 1.53 1.53 -121.14 1 8 -2 125 345.336 2
Mid Mid (pH 6-8) 1.53 0.75 -52.82 2 8 -1 123 346.344 2
Lo Low (pH 4.5-6) -0.25 3.57 -21.74 2 8 0 116 347.352 2

Activity (Go SEA)

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