UCSF

ZINC36871587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.69 -1.32 -43.77 4 5 1 69 230.332 6
Hi High (pH 8-9.5) -0.69 -1.63 -7.37 3 5 0 68 229.324 6
Mid Mid (pH 6-8) -0.69 0.95 -94.46 5 5 2 70 231.34 6

Activity (Go SEA)

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