UCSF

ZINC61190167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 18 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) 1.97 4.59 -34.55 2 4 1 43 262.414 10
Hi High (pH 8-9.5) 1.97 2.42 -4.55 1 4 0 42 261.406 10

Activity (Go SEA)

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