UCSF

ZINC01235428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 19 Yes

Other Names:

MFCD01243336

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) 2.37 5.75 -17.69 1 5 0 64 277.349 5
Hi High (pH 8-9.5) 2.44 4.09 -53.34 0 5 -1 70 276.341 5

Activity (Go SEA)

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