UCSF

ZINC37094210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.92 3.96 -41.59 3 5 1 66 265.333 5
Hi High (pH 8-9.5) 0.92 3.54 -13.63 2 5 0 65 264.325 5

Activity (Go SEA)

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