UCSF

ZINC37048010

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) -0.02 0.4 -48.1 2 6 -1 107 258.275 6
Hi High (pH 8-9.5) -0.02 0.46 -99.45 1 6 -2 109 257.267 6

Activity (Go SEA)

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