UCSF

ZINC33725966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 5.03 9.97 -20.73 3 8 0 99 498.678 9
Hi High (pH 8-9.5) 5.22 8.93 -48.67 2 8 -1 106 497.67 9

Activity (Go SEA)

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