UCSF

ZINC20054995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) -0.56 2.04 -56.48 3 5 1 79 214.289 9
Hi High (pH 8-9.5) -0.56 0.64 -18.58 2 5 0 74 213.281 9

Activity (Go SEA)

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