UCSF

ZINC31154984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 15 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) 2.45 8.61 -99.95 0 4 -2 80 212.245 9
Lo Low (pH 4.5-6) 2.45 6.62 -48.49 1 4 -1 77 213.253 9

Activity (Go SEA)

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