UCSF

ZINC37868789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2009 28 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) 4.45 10.17 -14.54 1 4 0 55 387.87 5
Lo Low (pH 4.5-6) 4.45 10.63 -51.42 2 4 1 56 388.878 5

Activity (Go SEA)

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