UCSF

ZINC43973659

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 2.19 8.99 -53.57 2 7 1 66 402.515 8
Hi High (pH 8-9.5) 2.19 6.76 -13.95 1 7 0 65 401.507 8

Activity (Go SEA)

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