UCSF

ZINC19885219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 13 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) 0.38 2.39 -40.8 2 4 1 46 187.263 4
Hi High (pH 8-9.5) 0.38 3.55 -38.81 2 4 1 43 187.263 4
Mid Mid (pH 6-8) 0.38 1.12 -5.22 1 4 0 42 186.255 4
Lo Low (pH 4.5-6) 0.38 4.82 -104.44 3 4 2 47 188.271 4

Activity (Go SEA)

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