UCSF

ZINC36999121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 0.43 3.79 -98.53 5 4 2 61 229.368 5
Hi High (pH 8-9.5) 0.61 2.08 -51.78 4 4 1 67 228.36 5
Hi High (pH 8-9.5) 0.43 3.46 -39.63 4 4 1 60 228.36 5
Hi High (pH 8-9.5) 0.61 1.65 -28.58 3 4 0 66 227.352 5

Activity (Go SEA)

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