UCSF

ZINC08442271

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 18 Yes

Other Names:

MFCD04151868

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) 4.77 -5.8 -7.28 1 3 0 46 411.14 3
Hi High (pH 8-9.5) 4.77 -5.23 -35.5 0 3 -1 48 410.132 3

Activity (Go SEA)

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

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