UCSF

ZINC32497017

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 16 Yes

Popular Name: MFCD08361864 MFCD08361864

Find On: PubMed — Wikipedia — Google

CAS Numbers: 919032-97-6 , N/A

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) 1.54 4.98 -122.19 4 3 2 41 224.348 6 ↓
Mid Mid (pH 6-8) 1.54 5.08 -29.99 3 3 1 40 223.34 6 ↓
Mid Mid (pH 6-8) 1.54 2.21 -45.32 3 3 1 40 223.34 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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