UCSF

ZINC41725554

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) 1.31 7.27 -37.87 3 2 1 33 233.379 1
Hi High (pH 8-9.5) 1.31 6.95 -3.29 2 2 0 31 232.371 1

Activity (Go SEA)

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