UCSF

ZINC40806993

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 27 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) 2.19 6.31 -13.06 2 8 0 107 389.433 6
Hi High (pH 8-9.5) 2.38 4.41 -41.37 1 8 -1 113 388.425 6

Activity (Go SEA)

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