UCSF

ZINC16851944

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2008 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) 5.64 6.83 -8.2 2 5 0 75 409.294 4
Ref Reference (pH 7) 5.64 7.24 -8.48 2 5 0 75 409.294 4
Hi High (pH 8-9.5) 6.10 5.5 -40.77 1 5 -1 78 408.286 4
Hi High (pH 8-9.5) 6.10 4.81 -41.67 1 5 -1 78 408.286 4

Activity (Go SEA)

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