UCSF

ZINC39724200

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 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) 6.71 13.5 -17.38 1 4 0 55 440.355 5
Hi High (pH 8-9.5) 6.78 11.85 -50.34 0 4 -1 61 439.347 5

Activity (Go SEA)

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