UCSF

ZINC39120701

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.94 5.37 -32.03 1 2 1 8 171.308 2
Hi High (pH 8-9.5) 1.94 2.99 -0.97 0 2 0 6 170.3 2
Mid Mid (pH 6-8) 1.94 4.54 -29.67 1 2 1 8 171.308 2

Activity (Go SEA)

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