UCSF

ZINC05923313

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 32 No

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) 1.99 9.72 -128.3 4 8 2 92 442.56 6
Hi High (pH 8-9.5) 1.99 6.9 -16.99 2 8 0 83 440.544 6
Mid Mid (pH 6-8) 1.99 8.32 -55.46 3 8 1 88 441.552 6

Activity (Go SEA)

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