UCSF

ZINC16689320

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 25 No

Other Names:

MFCD00617491

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) 5.62 6.43 -9.08 2 5 0 75 374.849 4
Ref Reference (pH 7) 5.62 6.17 -9.25 2 5 0 75 374.849 4
Hi High (pH 8-9.5) 5.62 6.94 -44.47 1 5 -1 78 373.841 4
Hi High (pH 8-9.5) 5.13 7.11 -98.71 0 5 -2 76 372.833 5
Hi High (pH 8-9.5) 5.62 7.2 -43.24 1 5 -1 78 373.841 4

Activity (Go SEA)

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