UCSF

ZINC20494339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 25 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) 3.47 8.85 -82.01 2 4 2 25 358.917 2
Hi High (pH 8-9.5) 3.47 8.46 -41.8 1 4 1 24 357.909 2
Lo Low (pH 4.5-6) 3.47 10.68 -184 3 4 3 26 359.925 2

Activity (Go SEA)

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