UCSF

ZINC43704166

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -0.55 3.3 -67.29 1 5 0 57 202.254 4
Hi High (pH 8-9.5) -0.55 0.82 -46.11 0 5 -1 56 201.246 4
Lo Low (pH 4.5-6) -0.55 5.57 -110.32 2 5 1 58 203.262 4

Activity (Go SEA)

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