UCSF

ZINC03830455

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 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) -0.96 -4.31 -61.24 3 11 -1 159 426.456 7
Lo Low (pH 4.5-6) -0.96 -4.17 -71.48 4 11 0 160 427.464 7

Activity (Go SEA)

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