UCSF

ZINC40117726

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 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) 3.09 6.08 -56.93 1 7 -1 97 410.446 9
Lo Low (pH 4.5-6) 3.09 5.32 -15.59 2 7 0 94 411.454 9

Activity (Go SEA)

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