UCSF

ZINC37795112

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) 2.17 9.02 -58.55 1 5 -1 72 289.355 5
Lo Low (pH 4.5-6) 2.17 6.43 -13.41 2 5 0 70 290.363 5

Activity (Go SEA)

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