UCSF

ZINC40112198

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 34 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) 1.95 4.68 -67.64 1 9 -1 131 487.554 7
Lo Low (pH 4.5-6) 1.95 3.92 -22.31 2 9 0 128 488.562 7

Activity (Go SEA)

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