UCSF

ZINC35724551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 29 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) 4.28 9.3 -26.17 2 7 0 87 472.368 4
Hi High (pH 8-9.5) 4.47 7.61 -61.33 1 7 -1 94 471.36 4

Activity (Go SEA)

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