UCSF

ZINC37269466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) 2.79 6.91 -103.56 3 2 2 21 249.185 5
Hi High (pH 8-9.5) 2.79 3.13 -2.63 1 2 0 15 247.169 5
Hi High (pH 8-9.5) 2.79 5.48 -28.71 2 2 1 16 248.177 5
Mid Mid (pH 6-8) 2.79 4.59 -36.72 2 2 1 20 248.177 5

Activity (Go SEA)

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