UCSF

ZINC42590829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 24 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) 1.87 7.78 -43.22 2 5 1 42 327.452 6
Hi High (pH 8-9.5) 1.87 5.5 -12.03 1 5 0 41 326.444 6

Activity (Go SEA)

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