UCSF

ZINC40054539

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 37 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) 3.99 8.86 -63.6 1 8 -1 108 508.591 14
Lo Low (pH 4.5-6) 3.99 8.1 -18.8 2 8 0 106 509.599 14

Activity (Go SEA)

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