UCSF

ZINC36169402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 1.39 5.47 -119.19 4 4 2 51 270.417 2
Hi High (pH 8-9.5) 1.39 3.49 -40.81 3 4 1 49 269.409 2
Hi High (pH 8-9.5) 1.39 5.22 -31.93 3 4 1 49 269.409 2

Activity (Go SEA)

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