UCSF

ZINC35135320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 17 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) 1.28 5.94 -47.71 1 4 -1 69 238.238 5
Lo Low (pH 4.5-6) 1.28 3.96 -10.91 2 4 0 66 239.246 5

Activity (Go SEA)

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