UCSF

ZINC36677043

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 17 Yes

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) 0.49 5.77 -13.76 0 4 0 64 228.299 6
Lo Low (pH 4.5-6) 0.49 6.26 -49.95 1 4 1 65 229.307 6

Activity (Go SEA)

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