UCSF

ZINC42446590

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.99 4.86 -100.17 4 3 2 41 230.396 6
Hi High (pH 8-9.5) 1.99 5.41 -39.37 3 3 1 44 229.388 6
Hi High (pH 8-9.5) 1.99 3.68 -33.69 3 3 1 37 229.388 6

Activity (Go SEA)

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