UCSF

ZINC32445471

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 15 Yes

Popular Name: MFCD08361865 MFCD08361865

Find On: PubMed — Wikipedia — Google

CAS Numbers: 31788-91-7 , 5815-73-6

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) 1.64 6.2 -115.13 4 2 2 32 206.333 3 ↓
Hi High (pH 8-9.5) 1.64 4.09 -43.74 3 2 1 31 205.325 3 ↓
Hi High (pH 8-9.5) 1.64 6.48 -27.58 3 2 1 30 205.325 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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