UCSF

ZINC41670512

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.68 6.43 -7.96 2 5 0 69 274.32 5
Lo Low (pH 4.5-6) 2.68 7.07 -23.6 3 5 0 70 275.328 5

Activity (Go SEA)

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