UCSF

ZINC43253436

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) 2.12 7.16 -129.91 4 4 2 52 331.913 6
Hi High (pH 8-9.5) 2.12 5.44 -56.35 3 4 1 51 330.905 6
Hi High (pH 8-9.5) 2.12 5.15 -8.99 2 4 0 50 329.897 6
Mid Mid (pH 6-8) 2.12 6.84 -37.72 3 4 1 51 330.905 6

Activity (Go SEA)

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