UCSF

ZINC22728578

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 No

Other Names:

MFCD01003462

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) 4.34 6.66 -12.81 1 4 0 59 334.169 4
Mid Mid (pH 6-8) 4.34 7.45 -48.76 0 4 -1 62 333.161 4
Lo Low (pH 4.5-6) 4.34 7.32 -39.07 2 4 1 61 335.177 4

Activity (Go SEA)

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

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