UCSF

ZINC42571377

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 3.90 7.62 -30.91 2 2 1 16 227.416 8
Hi High (pH 8-9.5) 3.90 5.4 -0.32 1 2 0 15 226.408 8
Lo Low (pH 4.5-6) 3.90 6.52 -36.25 2 2 1 20 227.416 8
Lo Low (pH 4.5-6) 3.90 8.73 -107.56 3 2 2 21 228.424 8

Activity (Go SEA)

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