UCSF

ZINC43249158

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 0.32 5.39 -58.39 3 5 1 68 296.416 4
Hi High (pH 8-9.5) 0.32 5.08 -18.52 2 5 0 67 295.408 4

Activity (Go SEA)

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