UCSF

ZINC25114625

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) 3.94 11.25 -9.1 0 4 0 33 446.513 7
Lo Low (pH 4.5-6) 3.94 13.26 -50.79 1 4 1 34 447.521 7

Activity (Go SEA)

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