UCSF

ZINC34849972

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 33 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) 3.68 7.72 -60.45 4 6 1 92 464.611 7
Hi High (pH 8-9.5) 3.68 6.38 -14.37 3 6 0 87 463.603 7

Activity (Go SEA)

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