UCSF

ZINC24425643

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.86 10.71 -19.17 1 4 0 47 329.35 4
Lo Low (pH 4.5-6) 2.86 11.14 -52.99 2 4 1 48 330.358 4

Activity (Go SEA)

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