UCSF

ZINC40094843

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 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) 4.41 10.67 -56.69 0 4 -1 60 398.479 7
Lo Low (pH 4.5-6) 4.41 9.93 -13.38 1 4 0 58 399.487 7

Activity (Go SEA)

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