UCSF

ZINC25064875

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 32 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) 3.90 10.84 -15.31 0 5 0 42 432.564 6
Lo Low (pH 4.5-6) 3.90 12.83 -53.61 1 5 1 43 433.572 6

Activity (Go SEA)

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