UCSF

ZINC19434942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 2.51 2.78 -51.73 5 5 1 89 288.371 3
Hi High (pH 8-9.5) 2.51 1.54 -18.95 4 5 0 84 287.363 3

Activity (Go SEA)

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