UCSF

ZINC20354961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 24 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) -1.33 2.09 -14.73 1 10 0 111 337.336 5
Hi High (pH 8-9.5) -0.88 -0.61 -55.44 0 10 -1 115 336.328 5

Activity (Go SEA)

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