UCSF

ZINC40731558

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 25 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) 5.46 12.9 -37.74 2 2 1 26 332.467 7
Hi High (pH 8-9.5) 5.46 11.78 -4.63 1 2 0 21 331.459 7

Activity (Go SEA)

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