UCSF

ZINC39759577

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 1.74 6.72 -22.62 3 10 0 135 489.627 11
Hi High (pH 8-9.5) 1.92 5.51 -52.93 2 10 -1 141 488.619 11

Activity (Go SEA)

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