UCSF

ZINC40054030

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 31 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) 2.86 5.96 -66.77 1 7 -1 99 424.473 10
Lo Low (pH 4.5-6) 2.86 5.19 -20.12 2 7 0 96 425.481 10

Activity (Go SEA)

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