UCSF

ZINC71535810

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 Yes

Other Names:

MFCD07376026

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) 1.46 7.54 -59.6 0 5 -1 67 231.231 4
Lo Low (pH 4.5-6) 1.46 8.01 -46.51 1 5 0 68 232.239 4

Activity (Go SEA)

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

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