UCSF

ZINC59397847

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 25 Yes

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) 5.23 13.42 -46.13 0 3 -1 49 341.471 10
Lo Low (pH 4.5-6) 5.23 11.44 -8.1 1 3 0 47 342.479 10

Activity (Go SEA)

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