UCSF

ZINC43454487

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.61 6.4 -103.49 4 2 2 32 202.386 9
Hi High (pH 8-9.5) 2.61 6.01 -33.05 3 2 1 30 201.378 9
Hi High (pH 8-9.5) 2.61 4.35 -40.7 3 2 1 31 201.378 9

Activity (Go SEA)

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