UCSF

ZINC43968253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.51 6.88 -114.37 3 3 2 30 242.407 4
Hi High (pH 8-9.5) 2.51 4.43 -0.83 1 3 0 24 240.391 4
Hi High (pH 8-9.5) 2.51 5.25 -35.75 2 3 1 29 241.399 4
Mid Mid (pH 6-8) 2.51 5.9 -34.63 2 3 1 26 241.399 4

Activity (Go SEA)

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