UCSF

ZINC45944169

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.44 5.22 -34.69 1 4 1 43 226.344 7
Hi High (pH 8-9.5) 2.44 3.55 -6.09 0 4 0 42 225.336 7

Activity (Go SEA)

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