UCSF

ZINC36748975

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.51 7.42 -44.59 0 8 -1 107 255.254 6
Lo Low (pH 4.5-6) 0.51 5.44 -10.58 1 8 0 104 256.262 6

Activity (Go SEA)

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