UCSF

ZINC06425916

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 19 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) 0.75 8.74 -58.86 0 7 -1 108 261.213 3
Lo Low (pH 4.5-6) -1.69 6.84 -36.12 1 7 0 110 262.221 3

Activity (Go SEA)

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