UCSF

ZINC39296449

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 2.76 8.2 -83.19 2 3 2 12 267.461 9
Hi High (pH 8-9.5) 2.76 4.44 -0.85 0 3 0 10 265.445 9
Hi High (pH 8-9.5) 2.76 6.34 -34.41 1 3 1 11 266.453 9
Mid Mid (pH 6-8) 2.76 5.98 -30.22 1 3 1 11 266.453 9

Activity (Go SEA)

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