UCSF

ZINC40924467

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) -1.94 2.38 -72.16 3 5 0 88 200.238 2
Hi High (pH 8-9.5) -1.94 2.13 -57.79 2 5 -1 86 199.23 2

Activity (Go SEA)

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