UCSF

ZINC20437912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 35 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) 4.71 13.13 -73.63 1 6 0 74 490.625 11
Hi High (pH 8-9.5) 4.71 10.83 -57.69 0 6 -1 73 489.617 11
Lo Low (pH 4.5-6) 4.71 12.32 -54.97 2 6 1 71 491.633 11

Activity (Go SEA)

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