UCSF

ZINC37792394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -0.18 2.76 -50.15 1 6 -1 88 244.267 9
Lo Low (pH 4.5-6) -0.18 0.76 -11.43 2 6 0 85 245.275 9

Activity (Go SEA)

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