UCSF

ZINC20364274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 1.41 5.13 -47.56 3 4 1 59 250.366 7
Hi High (pH 8-9.5) 1.41 3.9 -12.33 2 4 0 54 249.358 7
Lo Low (pH 4.5-6) 1.41 4.42 -36.48 3 4 1 55 250.366 7

Activity (Go SEA)

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