UCSF

ZINC17952188

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 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) 2.83 7.01 -16.32 1 6 0 76 387.237 4
Hi High (pH 8-9.5) 3.74 5.77 -52.3 0 6 -1 83 386.229 4
Hi High (pH 8-9.5) 3.74 4.81 -48.49 0 6 -1 83 386.229 4

Activity (Go SEA)

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