UCSF

ZINC37792248

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.97 -0.83 -63.85 5 8 -1 155 290.255 5
Lo Low (pH 4.5-6) -0.97 -2.83 -22.46 6 8 0 153 291.263 5

Activity (Go SEA)

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