UCSF

ZINC39677924

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 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) 0.18 5.28 -65.53 3 8 1 91 478.617 6
Lo Low (pH 4.5-6) 0.18 7.54 -123.06 4 8 2 93 479.625 6

Activity (Go SEA)

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