UCSF

ZINC37128494

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 2.91 8.96 -45.35 2 2 1 29 269.412 6
Hi High (pH 8-9.5) 2.91 7.78 -4.75 1 2 0 25 268.404 6

Activity (Go SEA)

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