UCSF

ZINC40099026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 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) 1.62 5.83 -62.36 1 8 -1 112 459.544 9
Lo Low (pH 4.5-6) 1.62 4.94 -16.91 2 8 0 109 460.552 9

Activity (Go SEA)

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