UCSF

ZINC59639536

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 29 Yes

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) 5.65 10.05 -8.52 3 4 0 68 401.535 4
Lo Low (pH 4.5-6) 5.65 10.38 -28.21 4 4 1 69 402.543 4

Activity (Go SEA)

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