UCSF

ZINC20219260

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 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) 2.85 10.09 -75.71 1 8 0 93 466.534 9
Hi High (pH 8-9.5) 2.85 7.55 -59.57 0 8 -1 91 465.526 9
Lo Low (pH 4.5-6) 2.85 9.27 -56.81 2 8 1 90 467.542 9

Activity (Go SEA)

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