UCSF

ZINC21010072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.44 9.24 -45.2 3 2 1 37 282.407 5
Hi High (pH 8-9.5) 2.44 8.94 -3.87 2 2 0 35 281.399 5

Activity (Go SEA)

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