UCSF

ZINC40048976

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 36 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) 2.96 6.42 -62.49 1 9 -1 118 498.552 12
Lo Low (pH 4.5-6) 2.96 5.66 -20.55 2 9 0 115 499.56 12

Activity (Go SEA)

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