UCSF

ZINC54830172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 23 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) 2.60 2.94 -51.78 1 6 -1 90 352.823 5
Lo Low (pH 4.5-6) 2.60 2.87 -15.81 2 6 0 88 353.831 5

Activity (Go SEA)

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