UCSF

ZINC36232048

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.57 6.27 -42.65 0 5 -1 70 270.349 4
Lo Low (pH 4.5-6) 1.57 5.06 -11.69 1 5 0 67 271.357 4

Activity (Go SEA)

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