UCSF

ZINC25155587

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 29 Yes

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) 3.03 9.74 -23.04 1 6 0 69 386.455 7
Lo Low (pH 4.5-6) 3.03 10.57 -89.14 3 6 2 72 388.471 7
Lo Low (pH 4.5-6) 3.03 10.14 -42.25 2 6 1 70 387.463 7
Lo Low (pH 4.5-6) 3.03 10.18 -59.91 2 6 1 70 387.463 7

Activity (Go SEA)

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