UCSF

ZINC33703488

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 5.22 13.66 -54.2 3 6 1 66 479.689 11
Hi High (pH 8-9.5) 5.22 11.34 -17.23 2 6 0 65 478.681 11

Activity (Go SEA)

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