UCSF

ZINC37824752

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.56 4.96 -34.63 2 5 1 59 278.376 6
Hi High (pH 8-9.5) 0.56 3.78 -10.42 1 5 0 54 277.368 6
Lo Low (pH 4.5-6) 0.56 5.46 -82.78 3 5 2 60 279.384 6

Activity (Go SEA)

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