UCSF

ZINC39756119

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 4.51 10.76 -55.82 3 6 1 80 464.611 7
Hi High (pH 8-9.5) 4.51 10.77 -84.66 2 6 0 82 463.603 7

Activity (Go SEA)

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