UCSF

ZINC04660909

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 26 Yes

Other Names:

MFCD03867235

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) 7.30 -0.75 -9.06 1 3 0 46 414.398 5
Hi High (pH 8-9.5) 7.30 -0.17 -46.54 0 3 -1 48 413.39 5

Activity (Go SEA)

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