UCSF

ZINC37828884

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.61 11.2 -63.43 0 4 -1 60 286.351 6
Lo Low (pH 4.5-6) 2.61 9.1 -13.58 1 4 0 58 287.359 6

Activity (Go SEA)

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