UCSF

ZINC37792469

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 No

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 7.28 -59.37 1 5 -1 78 290.339 9
Lo Low (pH 4.5-6) 1.71 5.32 -14.37 2 5 0 76 291.347 9

Activity (Go SEA)

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