UCSF

ZINC19582747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 27 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) 1.28 8.26 -72 1 6 0 78 369.396 6
Hi High (pH 8-9.5) 1.28 5.73 -52.42 0 6 -1 77 368.388 6
Lo Low (pH 4.5-6) 1.28 7.44 -56.47 2 6 1 75 370.404 6

Activity (Go SEA)

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