UCSF

ZINC34896639

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 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) 3.92 10.9 -25.25 1 8 0 92 529.49 13
Hi High (pH 8-9.5) 3.74 9.56 -54.58 0 8 -1 98 528.482 13

Activity (Go SEA)

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