UCSF

ZINC41719121

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 13 No

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) 1.36 1.33 -10.81 2 3 0 49 199.637 3
Hi High (pH 8-9.5) 1.36 2.09 -43.38 1 3 -1 52 198.629 3

Activity (Go SEA)

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