UCSF

ZINC57772389

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 22 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) 4.42 8.29 -9.14 1 4 0 55 294.354 4
Hi High (pH 8-9.5) 4.88 6.46 -50.8 0 4 -1 58 293.346 4

Activity (Go SEA)

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