UCSF

ZINC37017273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 1.76 8.36 -41.33 2 4 1 47 249.313 4
Hi High (pH 8-9.5) 1.76 7.46 -10.93 1 4 0 43 248.305 4

Activity (Go SEA)

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