UCSF

ZINC41729804

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) -0.47 4.37 -40.75 3 4 1 45 278.42 4
Hi High (pH 8-9.5) -0.47 4.06 -6.02 2 4 0 43 277.412 4
Mid Mid (pH 6-8) -0.47 6.63 -87.36 4 4 2 46 279.428 4

Activity (Go SEA)

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