UCSF

ZINC16474868

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 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) 3.26 3.18 -25.02 3 9 0 131 489.575 9
Hi High (pH 8-9.5) 3.26 3.25 -58.04 2 9 -1 133 488.567 9
Hi High (pH 8-9.5) 3.26 3.24 -46.81 2 9 -1 133 488.567 9
Hi High (pH 8-9.5) 3.26 3.31 -87.67 1 9 -2 135 487.559 9

Activity (Go SEA)

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