UCSF

ZINC37800602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -2.45 -3.46 -46.5 5 8 1 115 286.356 5
Hi High (pH 8-9.5) -2.45 -3.83 -18.38 4 8 0 113 285.348 5
Mid Mid (pH 6-8) -2.45 -1.31 -105.22 6 8 2 116 287.364 5

Activity (Go SEA)

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