UCSF

ZINC48784074

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 25 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) 2.31 11.24 -47.38 2 5 1 59 341.479 4
Hi High (pH 8-9.5) 2.31 9.87 -7.87 1 5 0 54 340.471 4

Activity (Go SEA)

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