UCSF

ZINC03656495

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 22 Yes

Popular Name: MFCD03765602 MFCD03765602

Find On: PubMed — Wikipedia — Google

CAS Number: 321418-06-8

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) 2.06 -3.12 -46.48 2 7 -1 109 314.35 5 ↓
Lo Low (pH 4.5-6) 2.06 -2.96 -62.1 3 7 0 111 315.358 5 ↓
Lo Low (pH 4.5-6) 2.06 -2.97 -63.06 3 7 0 111 315.358 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.