UCSF

ZINC36877874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.96 5.96 -47.51 4 3 1 56 248.325 4
Hi High (pH 8-9.5) 0.96 5.66 -8.71 3 3 0 55 247.317 4
Lo Low (pH 4.5-6) 0.96 6.06 -121.5 5 3 2 58 249.333 4

Activity (Go SEA)

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