UCSF

ZINC37031285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 4.68 5.93 -38.8 3 3 1 46 278.416 5
Hi High (pH 8-9.5) 4.68 6.65 -40.25 2 3 0 49 277.408 5

Activity (Go SEA)

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