UCSF

ZINC41719049

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 2.37 8.61 -57.26 3 5 1 71 288.371 7
Hi High (pH 8-9.5) 2.37 6.59 -36.3 2 5 0 70 287.363 7
Hi High (pH 8-9.5) 2.37 8.2 -51.27 2 5 0 69 287.363 7

Activity (Go SEA)

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