UCSF

ZINC42767698

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.71 3.68 -35.28 4 4 1 64 290.309 8
Lo Low (pH 4.5-6) 1.71 5.75 -83.73 5 4 2 65 291.317 8

Activity (Go SEA)

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