UCSF

ZINC42463071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.89 3.78 -38.34 2 4 1 40 240.371 4
Hi High (pH 8-9.5) 0.89 2.5 -7.13 1 4 0 36 239.363 4
Mid Mid (pH 6-8) 0.89 5.84 -92.5 3 4 2 41 241.379 4

Activity (Go SEA)

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