UCSF

ZINC36637531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 3.93 11.39 -63.14 1 7 1 65 450.968 9
Hi High (pH 8-9.5) 3.93 8.92 -14.72 0 7 0 64 449.96 9

Activity (Go SEA)

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