UCSF

ZINC44610075

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) -0.14 4.55 -39.98 0 8 -1 99 247.238 3
Lo Low (pH 4.5-6) -0.14 2.57 -9.86 1 8 0 97 248.246 3

Activity (Go SEA)

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