UCSF

ZINC11731151

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2008 14 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) 2.35 5.94 -8.54 1 2 0 33 228.078 0
Hi High (pH 8-9.5) 3.65 4.55 -36.79 0 2 -1 36 227.07 0
Lo Low (pH 4.5-6) 3.65 -1.46 -29.16 2 2 1 34 229.086 0

Activity (Go SEA)

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