UCSF

ZINC42448264

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.23 5.37 -11.62 1 5 0 77 233.271 4
Hi High (pH 8-9.5) 1.23 4.01 -27.11 1 5 0 81 233.271 4
Mid Mid (pH 6-8) 1.23 6.38 -49.41 0 5 -1 80 232.263 4

Activity (Go SEA)

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