UCSF

ZINC08448759

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 24 No

Other Names:

MFCD01416884

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) 4.78 6.88 -10.17 2 5 0 74 427.085 2
Ref Reference (pH 7) 4.78 6.72 -14.82 2 5 0 74 427.085 2
Hi High (pH 8-9.5) 5.24 4.83 -49.6 1 5 -1 77 426.077 2
Hi High (pH 8-9.5) 5.24 5.14 -38.56 1 5 -1 77 426.077 2

Activity (Go SEA)

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