UCSF

ZINC23358764

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 25 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) -0.98 -0.29 -19.79 2 8 0 96 346.387 5
Ref Reference (pH 7) -0.98 -0.31 -19.59 2 8 0 96 346.387 5
Mid Mid (pH 6-8) -0.98 1.92 -55.05 3 8 1 97 347.395 5
Lo Low (pH 4.5-6) -0.98 1.89 -54.29 3 8 1 97 347.395 5
Lo Low (pH 4.5-6) -0.98 1.91 -53.5 3 8 1 97 347.395 5

Activity (Go SEA)

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