UCSF

ZINC39761106

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 No

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) 1.09 3.79 -19.28 3 10 0 131 490.611 10
Lo Low (pH 4.5-6) 1.09 4.92 -40.74 4 10 1 132 491.619 10

Activity (Go SEA)

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