UCSF

ZINC42276800

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) -1.73 -1.74 -39.75 4 6 1 89 216.261 4
Hi High (pH 8-9.5) -1.73 -3.13 -13.76 3 6 0 85 215.253 4

Activity (Go SEA)

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