UCSF

ZINC29222809

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 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) 3.23 4.26 -57.52 4 2 1 48 234.706 2
Hi High (pH 8-9.5) 3.23 4.77 -35.77 3 2 0 51 233.698 2

Activity (Go SEA)

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