UCSF

ZINC33582344

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 36 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) 6.51 18.2 -57.4 1 5 1 43 481.664 8
Hi High (pH 8-9.5) 6.51 15.98 -12.22 0 5 0 41 480.656 8

Activity (Go SEA)

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