UCSF

ZINC42551806

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) 3.64 8.44 -107.43 3 2 2 21 228.424 7
Hi High (pH 8-9.5) 3.64 6.98 -31.31 2 2 1 20 227.416 7
Mid Mid (pH 6-8) 3.64 7.33 -29.19 2 2 1 16 227.416 7

Activity (Go SEA)

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