UCSF

ZINC39762370

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 3.69 3.9 -25.05 2 8 0 106 394.431 7
Hi High (pH 8-9.5) 3.75 1.76 -68.95 1 8 -1 113 393.423 7

Activity (Go SEA)

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