UCSF

ZINC23114651

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 23 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) 2.58 3.56 -9.74 2 6 0 71 379.258 5
Lo Low (pH 4.5-6) 2.58 3.74 -31 3 6 1 72 380.266 5

Activity (Go SEA)

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