UCSF

ZINC43254121

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 3.55 6.48 -30.81 3 3 1 40 331.933 9
Hi High (pH 8-9.5) 3.55 5.13 -50.36 3 3 1 40 331.933 9
Hi High (pH 8-9.5) 3.55 4.79 -2.96 2 3 0 38 330.925 9
Mid Mid (pH 6-8) 3.55 6.8 -115.12 4 3 2 41 332.941 9

Activity (Go SEA)

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