UCSF

ZINC43699907

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) -2.43 0.8 -34.87 3 5 0 80 202.254 3
Hi High (pH 8-9.5) -2.43 0.4 -43.46 2 5 -1 79 201.246 3
Lo Low (pH 4.5-6) -2.43 2.75 -83.64 4 5 1 81 203.262 3

Activity (Go SEA)

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