UCSF

ZINC19767740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 19 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) 2.78 7.61 -55.34 3 3 1 45 252.341 2
Lo Low (pH 4.5-6) 2.78 8.01 -83.63 4 3 2 46 253.349 2

Activity (Go SEA)

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