UCSF

ZINC06813962

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 26 No

Other Names:

MFCD02950565

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) 3.15 4.6 -9.29 3 5 0 88 350.328 2
Lo Low (pH 4.5-6) 3.15 5.51 -62.98 4 5 1 89 351.336 2

Activity (Go SEA)

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