UCSF

ZINC28381047

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 23 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) -0.41 5.04 -134.8 1 7 -2 119 315.281 6
Lo Low (pH 4.5-6) -0.41 3.91 -70.74 2 7 -1 116 316.289 6

Activity (Go SEA)

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