UCSF

ZINC20015536

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.73 8.75 -41.31 3 1 1 28 300.731 4
Hi High (pH 8-9.5) 2.73 8.58 -3.02 2 1 0 26 299.723 4

Activity (Go SEA)

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