UCSF

ZINC37851848

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.51 1.86 -112.92 4 5 2 60 248.367 9
Hi High (pH 8-9.5) -0.51 -2.04 -7.43 2 5 0 54 246.351 9
Mid Mid (pH 6-8) -0.51 0.44 -38.76 3 5 1 55 247.359 9

Activity (Go SEA)

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