UCSF

ZINC40124522

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 1.27 3.32 -58.35 1 9 -1 115 426.401 6
Lo Low (pH 4.5-6) 1.27 2.56 -19.94 2 9 0 113 427.409 6

Activity (Go SEA)

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