UCSF

ZINC20994858

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 18 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) 2.97 8.76 -31.76 1 2 1 8 249.422 3
Lo Low (pH 4.5-6) 2.97 10.92 -102.97 2 2 2 9 250.43 3
Lo Low (pH 4.5-6) 2.97 8.53 -35.69 1 2 1 8 249.422 3

Activity (Go SEA)

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