UCSF

ZINC21982371

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 No

Other Names:

MFCD09996986

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) 2.25 4.4 -33.85 1 7 -1 111 249.202 4
Lo Low (pH 4.5-6) 2.25 3.66 -17.31 2 7 0 108 250.21 4

Activity (Go SEA)

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

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