UCSF

ZINC20189014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.18 6.41 -33.15 2 2 1 16 239.408 4
Lo Low (pH 4.5-6) 2.18 7.69 -106.04 3 2 2 21 240.416 4
Lo Low (pH 4.5-6) 2.18 5.44 -39.99 2 2 1 20 239.408 4

Activity (Go SEA)

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