UCSF

ZINC35023104

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.63 7.39 -80.14 3 9 0 126 467.522 10
Lo Low (pH 4.5-6) 1.63 6.5 -56.14 4 9 1 124 468.53 10

Activity (Go SEA)

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