UCSF

ZINC20434423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) -0.69 -1.87 -45.04 4 5 1 75 217.289 6
Hi High (pH 8-9.5) -0.69 -3.07 -15.5 3 5 0 71 216.281 6

Activity (Go SEA)

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