UCSF

ZINC25100170

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 30 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) 3.50 8.58 -10.52 0 5 0 36 427.976 4
Lo Low (pH 4.5-6) 3.50 10.92 -52.56 1 5 1 37 428.984 4

Activity (Go SEA)

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