UCSF

ZINC40125317

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 26 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) 3.11 5.94 -56.68 1 5 -1 78 354.357 5
Lo Low (pH 4.5-6) 3.11 5.17 -15.85 2 5 0 76 355.365 5

Activity (Go SEA)

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