UCSF

ZINC20087360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 4.11 4.72 -8.6 2 4 0 51 287.359 6
Hi High (pH 8-9.5) 4.11 5.5 -47.66 1 4 -1 54 286.351 6

Activity (Go SEA)

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