UCSF

ZINC43245762

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.03 6.31 -48.23 3 2 1 37 324.294 4
Hi High (pH 8-9.5) 3.03 5.9 -3.01 2 2 0 35 323.286 4

Activity (Go SEA)

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