UCSF

ZINC34471654

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 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) 1.54 4.78 -16.81 2 7 0 81 377.448 5
Lo Low (pH 4.5-6) 1.54 6.98 -54.79 3 7 1 83 378.456 5

Activity (Go SEA)

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