UCSF

ZINC32497114

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 18 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) 1.17 4.54 -118.03 4 4 2 51 252.358 5
Hi High (pH 8-9.5) 1.17 2.86 -39.88 3 4 1 49 251.35 5
Mid Mid (pH 6-8) 1.17 4.46 -29.65 3 4 1 49 251.35 5

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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