UCSF

ZINC43243904

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.16 6.32 -51.68 3 2 1 37 284.351 4
Hi High (pH 8-9.5) 3.16 5.99 -6.9 2 2 0 35 283.343 4

Activity (Go SEA)

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