UCSF

ZINC40115979

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 22 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) 2.14 3.59 -57.32 1 5 -1 82 320.683 3
Lo Low (pH 4.5-6) 2.14 2.84 -12.35 2 5 0 80 321.691 3

Activity (Go SEA)

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