UCSF

ZINC37042317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -2.17 -3.15 -92.33 7 7 2 113 272.349 4
Hi High (pH 8-9.5) -2.17 -5.35 -45.27 6 7 1 112 271.341 4

Activity (Go SEA)

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