UCSF

ZINC25488966

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 12 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) 1.22 8.91 -7.61 0 5 0 45 167.216 2
Lo Low (pH 4.5-6) 1.22 9.22 -30.7 1 5 1 46 168.224 2

Activity (Go SEA)

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