UCSF

ZINC42977509

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.05 8.85 -39.63 2 3 1 34 277.432 6
Hi High (pH 8-9.5) 4.05 6.61 -7.63 1 3 0 32 276.424 6

Activity (Go SEA)

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