UCSF

ZINC43968446

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 4.30 10.29 -28.88 2 2 1 16 267.481 5
Hi High (pH 8-9.5) 4.31 8.22 -33.87 2 2 1 20 267.481 5

Activity (Go SEA)

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