UCSF

ZINC44886298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -0.47 -0.81 -38.61 2 9 -1 120 287.259 3
Lo Low (pH 4.5-6) -0.47 -0.54 -13.87 3 9 0 122 288.267 3

Activity (Go SEA)

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