UCSF

ZINC09490987

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 33 Yes

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) 4.97 -7 -16.05 2 8 0 110 490.603 9
Hi High (pH 8-9.5) 4.97 -6.42 -52.11 1 8 -1 112 489.595 9
Hi High (pH 8-9.5) 4.97 -6.44 -48.57 1 8 -1 112 489.595 9
Hi High (pH 8-9.5) 4.97 -5.86 -108.71 0 8 -2 114 488.587 9

Activity (Go SEA)

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