UCSF

ZINC20136279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 14 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) 2.54 5.59 -41.3 2 2 1 29 207.322 4
Hi High (pH 8-9.5) 2.54 4.16 -6.81 1 2 0 25 206.314 4

Activity (Go SEA)

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