UCSF

ZINC39228857

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 4.53 13.44 -34.82 2 5 1 59 401.534 6
Mid Mid (pH 6-8) 4.53 12.98 -10.08 1 5 0 58 400.526 6
Lo Low (pH 4.5-6) 4.53 13.91 -94.46 3 5 2 61 402.542 6

Activity (Go SEA)

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