UCSF

ZINC34863925

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 3.56 6.53 -23.86 2 7 0 87 424.324 4
Hi High (pH 8-9.5) 3.74 5.51 -57.69 1 7 -1 94 423.316 4

Activity (Go SEA)

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