UCSF

ZINC36787899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.77 6.51 -38.63 2 4 1 38 239.387 5
Hi High (pH 8-9.5) 1.77 5.59 -23.75 2 4 1 34 239.387 5
Hi High (pH 8-9.5) 1.77 5.02 -4.86 1 4 0 33 238.379 5
Mid Mid (pH 6-8) 1.77 6.73 -91.78 3 4 2 39 240.395 5

Activity (Go SEA)

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