UCSF

ZINC58558372

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 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) 2.02 4.17 -41.54 2 4 1 42 260.361 3
Hi High (pH 8-9.5) 2.02 2.98 -5.17 1 4 0 37 259.353 3
Lo Low (pH 4.5-6) 2.02 5.1 -90.47 3 4 2 43 261.369 3

Activity (Go SEA)

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