UCSF

ZINC32445496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 11 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.53 5.24 -106.33 3 2 2 21 158.289 4
Mid Mid (pH 6-8) 1.53 3.8 -31.03 2 2 1 16 157.281 4
Mid Mid (pH 6-8) 1.53 2.98 -36.04 2 2 1 20 157.281 4

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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