UCSF

ZINC37910622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2009 16 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) 0.17 6.94 -119.5 4 2 2 32 218.344 1
Hi High (pH 8-9.5) 0.17 4.78 -2.54 2 2 0 29 216.328 1
Mid Mid (pH 6-8) 0.17 6.61 -30.81 3 2 1 30 217.336 1
Mid Mid (pH 6-8) 0.17 5.1 -37.69 3 2 1 31 217.336 1

Activity (Go SEA)

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