UCSF

ZINC40118208

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 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) 4.91 8.02 -45.8 1 5 -1 78 419.284 7
Lo Low (pH 4.5-6) 4.91 7.25 -9.35 2 5 0 76 420.292 7

Activity (Go SEA)

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