UCSF

ZINC13351534

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 21 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) 5.82 6.62 -51.11 2 5 -1 85 348.176 4
Hi High (pH 8-9.5) 5.82 7.39 -94.86 1 5 -2 88 347.168 4
Hi High (pH 8-9.5) 5.82 7.74 -96.41 1 5 -2 88 347.168 4

Activity (Go SEA)

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