UCSF

ZINC20357378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 31 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) 2.55 9.87 -78.75 1 7 0 87 424.497 7
Lo Low (pH 4.5-6) 2.55 9.05 -53.98 2 7 1 84 425.505 7

Activity (Go SEA)

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