UCSF

ZINC49487046

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 20 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) 2.13 4.13 -13.73 2 5 0 71 313.741 4
Hi High (pH 8-9.5) 1.94 2.99 -40.59 1 5 -1 77 312.733 4

Activity (Go SEA)

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