UCSF

ZINC19434615

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 3.41 7.64 -44.69 2 3 1 34 346.264 6
Hi High (pH 8-9.5) 3.41 5.59 -12.34 1 3 0 32 345.256 6

Activity (Go SEA)

Rings

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