UCSF

ZINC34465871

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 3.14 7.49 -33.97 1 3 1 23 250.362 5
Hi High (pH 8-9.5) 3.14 5.43 -3.91 0 3 0 22 249.354 5

Activity (Go SEA)

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