UCSF

ZINC39761361

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 6.18 13.29 -16.23 1 6 0 73 490.441 7
Hi High (pH 8-9.5) 6.37 11.89 -49.11 0 6 -1 79 489.433 7

Activity (Go SEA)

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