UCSF

ZINC41643611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 3.58 9.91 -13.49 1 7 0 94 399.472 5
Hi High (pH 8-9.5) 3.65 8.89 -45.85 0 7 -1 101 398.464 5

Activity (Go SEA)

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