UCSF

ZINC36472872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 13 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) -2.41 3.19 -110.53 1 6 -2 109 187.151 5
Lo Low (pH 4.5-6) -2.41 1.25 -52.18 2 6 -1 107 188.159 5
Lo Low (pH 4.5-6) -2.41 1.25 -45.79 2 6 -1 107 188.159 5

Activity (Go SEA)

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