UCSF

ZINC40052867

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 30 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) 3.34 8.32 -53.05 1 5 -1 81 404.417 6
Lo Low (pH 4.5-6) 3.34 7.56 -12.32 2 5 0 78 405.425 6

Activity (Go SEA)

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