UCSF

ZINC06847909

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2006 24 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) 5.93 8.76 -11.66 1 4 0 54 379.268 3
Hi High (pH 8-9.5) 6.39 6.73 -42.42 0 4 -1 58 378.26 3
Hi High (pH 8-9.5) 6.39 7.19 -39.16 0 4 -1 58 378.26 3

Activity (Go SEA)

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