UCSF

ZINC31964489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) -0.54 0.68 -72 5 8 1 117 331.352 6
Hi High (pH 8-9.5) -0.54 0.29 -21.63 4 8 0 116 330.344 6

Activity (Go SEA)

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