UCSF

ZINC19864083

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 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) 3.68 12.09 -73.79 1 5 0 65 392.499 6
Hi High (pH 8-9.5) 3.68 9.56 -61.45 0 5 -1 64 391.491 6
Lo Low (pH 4.5-6) 3.68 11.13 -47.24 2 5 1 62 393.507 6

Activity (Go SEA)

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