UCSF

ZINC39230402

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 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) 2.90 10.48 -11.75 1 5 0 58 362.408 4
Lo Low (pH 4.5-6) 2.90 10.89 -38.11 2 5 1 59 363.416 4
Lo Low (pH 4.5-6) 2.90 11.35 -99.23 3 5 2 61 364.424 4
Lo Low (pH 4.5-6) 2.90 10.93 -34.48 2 5 1 59 363.416 4

Activity (Go SEA)

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