UCSF

ZINC42862460

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.33 2.29 -41.79 3 3 1 44 228.385 6
Hi High (pH 8-9.5) 1.33 3.45 -29.75 3 3 1 43 228.385 6
Lo Low (pH 4.5-6) 1.33 3.81 -122.83 4 3 2 45 229.393 6

Activity (Go SEA)

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