UCSF

ZINC31966195

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 2.05 8.68 -57.56 1 6 -1 85 326.376 8
Lo Low (pH 4.5-6) 2.05 7.56 -17.55 2 6 0 83 327.384 8

Activity (Go SEA)

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