UCSF

ZINC69803356

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) -1.20 -0.89 -118.47 4 6 2 74 238.357 5
Hi High (pH 8-9.5) -1.20 -3.44 -8.18 2 6 0 65 236.341 5
Mid Mid (pH 6-8) -1.20 -1.99 -48.65 3 6 1 69 237.349 5

Activity (Go SEA)

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