UCSF

ZINC27409712

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) 1.79 2.41 -58.19 2 8 -1 127 346.344 2
Mid Mid (pH 6-8) 1.79 1.66 -60.76 2 8 -1 123 346.344 2
Mid Mid (pH 6-8) 1.79 2.43 -119.27 1 8 -2 125 345.336 2
Lo Low (pH 4.5-6) 0.21 1.89 -20.36 2 8 0 117 347.352 2
Lo Low (pH 4.5-6) 0.21 2.71 -24.32 2 8 0 121 347.352 2

Activity (Go SEA)

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