UCSF

ZINC59739493

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 30 No

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) 8.63 17.34 -138.12 1 5 -2 92 417.59 19
Lo Low (pH 4.5-6) 8.63 15.34 -61.89 2 5 -1 89 418.598 19
Lo Low (pH 4.5-6) 8.63 15.28 -56.13 2 5 -1 89 418.598 19

Activity (Go SEA)

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