UCSF

ZINC43970749

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 1.40 5.65 -82.46 3 4 2 34 271.449 5
Hi High (pH 8-9.5) 1.40 4.18 -34.32 2 4 1 29 270.441 5
Hi High (pH 8-9.5) 1.40 4.3 -30.46 2 4 1 29 270.441 5
Mid Mid (pH 6-8) 1.40 6.55 -90.09 3 4 2 30 271.449 5

Activity (Go SEA)

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