UCSF

ZINC43968961

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.15 7.25 -112.49 3 3 2 34 251.418 8
Hi High (pH 8-9.5) 2.15 5.99 -41.33 2 3 1 33 250.41 8
Mid Mid (pH 6-8) 2.15 6.19 -35.34 2 3 1 29 250.41 8

Activity (Go SEA)

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