UCSF

ZINC20137843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 2.07 7.23 -39.08 1 4 1 30 289.399 5
Lo Low (pH 4.5-6) 2.07 9.57 -96.91 2 4 2 31 290.407 5

Activity (Go SEA)

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