UCSF

ZINC43893817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.12 6.25 -117.83 3 3 2 34 221.348 4
Hi High (pH 8-9.5) 1.12 2.8 -3.54 1 3 0 28 219.332 4
Hi High (pH 8-9.5) 1.12 3.97 -40.27 2 3 1 33 220.34 4
Mid Mid (pH 6-8) 1.12 5.11 -39.91 2 3 1 29 220.34 4

Activity (Go SEA)

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