UCSF

ZINC40093261

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 36 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) 2.63 5.99 -62.4 1 9 -1 118 498.552 12
Lo Low (pH 4.5-6) 2.63 4.87 -15.46 2 9 0 115 499.56 12

Activity (Go SEA)

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