UCSF

ZINC27420712

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) 1.73 2.68 -55.46 2 8 -1 122 346.344 2
Hi High (pH 8-9.5) 2.36 -0.27 -114.24 1 8 -2 129 345.336 1
Hi High (pH 8-9.5) 2.18 0.23 -111.67 1 8 -2 125 345.336 2
Mid Mid (pH 6-8) 0.14 2.86 -27.29 2 8 0 116 347.352 2

Activity (Go SEA)

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