UCSF

ZINC08654206

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2007 26 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) 5.26 8.25 -10.19 1 5 0 64 388.876 4
Hi High (pH 8-9.5) 5.26 8.65 -44.4 0 5 -1 67 387.868 4
Hi High (pH 8-9.5) 5.26 9.16 -43.57 0 5 -1 67 387.868 4

Activity (Go SEA)

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