UCSF

ZINC34751416

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 24 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) 2.47 7.52 -44.8 3 4 1 54 327.448 10
Hi High (pH 8-9.5) 2.47 5.42 -11.48 2 4 0 53 326.44 10

Activity (Go SEA)

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