UCSF

ZINC31947527

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 1.77 8.39 -61.44 2 6 1 68 331.421 3
Hi High (pH 8-9.5) 1.77 6.97 -13.01 1 6 0 63 330.413 3

Activity (Go SEA)

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