UCSF

ZINC05969338

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 22 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) 2.87 8.45 -12.13 2 7 0 96 321.358 4
Hi High (pH 8-9.5) 2.91 6.58 -36.92 1 7 -1 97 320.35 4
Hi High (pH 8-9.5) 2.12 7.39 -32.53 1 7 -1 103 320.35 3

Activity (Go SEA)

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