UCSF

ZINC35420087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 33 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) 2.48 9.12 -69.68 2 8 0 102 448.523 8
Lo Low (pH 4.5-6) 2.48 8.36 -51.85 3 8 1 100 449.531 8

Activity (Go SEA)

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