UCSF

ZINC38453438

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 34 No

Other Names:

MFCD05864545

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) 3.45 12.36 -57.73 3 7 1 89 465.549 8
Hi High (pH 8-9.5) 3.45 13.3 -74.82 2 7 0 91 464.541 8

Activity (Go SEA)

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