UCSF

ZINC41667352

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.14 8.31 -10.43 0 5 0 60 404.249 3
Lo Low (pH 4.5-6) 4.14 11.22 -54.98 1 5 1 61 405.257 3

Activity (Go SEA)

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