UCSF

ZINC16441044

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.35 6.51 -9.06 2 5 0 75 419.3 3
Hi High (pH 8-9.5) 5.80 5.34 -97.15 0 5 -2 81 417.284 3
Hi High (pH 8-9.5) 5.80 4.42 -47.1 1 5 -1 78 418.292 3
Hi High (pH 8-9.5) 5.35 7.43 -40.98 1 5 -1 78 418.292 3

Activity (Go SEA)

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