UCSF

ZINC37854708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.24 -1.17 -42.24 3 5 1 53 260.402 9
Mid Mid (pH 6-8) -0.24 -0.44 -34.38 3 5 1 49 260.402 9
Mid Mid (pH 6-8) -0.24 1.88 -82.16 4 5 2 50 261.41 9

Activity (Go SEA)

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