UCSF

ZINC43700076

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) -2.29 0.91 -34.62 3 5 0 80 202.254 4
Hi High (pH 8-9.5) -2.29 0.13 -41.48 2 5 -1 79 201.246 4
Lo Low (pH 4.5-6) -2.29 2.83 -83.82 4 5 1 81 203.262 4

Activity (Go SEA)

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