UCSF

ZINC34667975

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 2.17 5.11 -13.05 2 7 0 78 398.507 8
Mid Mid (pH 6-8) 2.17 7.38 -46.63 3 7 1 79 399.515 8
Lo Low (pH 4.5-6) 2.17 7.72 -103.26 4 7 2 80 400.523 8

Activity (Go SEA)

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