UCSF

ZINC19884324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.12 7.66 -70.85 1 6 0 78 351.406 6
Hi High (pH 8-9.5) 1.12 5.12 -58.49 0 6 -1 77 350.398 6
Lo Low (pH 4.5-6) 1.12 6.83 -51.11 2 6 1 75 352.414 6

Activity (Go SEA)

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