UCSF

ZINC37265934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -0.49 2.75 -114.37 4 4 2 45 255.406 3
Hi High (pH 8-9.5) -0.49 2.77 -35.65 3 4 1 43 254.398 3
Hi High (pH 8-9.5) -0.49 0.34 -48.75 3 4 1 43 254.398 3

Activity (Go SEA)

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