UCSF

ZINC51952940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 18 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) 0.64 5.78 -100.27 2 5 2 48 252.362 3
Hi High (pH 8-9.5) 0.64 3.56 -36.89 1 5 1 47 251.354 3

Activity (Go SEA)

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