UCSF

ZINC20146212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 19 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) 3.75 9.08 -35.47 2 2 1 16 326.302 6
Hi High (pH 8-9.5) 3.76 8.2 -46.45 2 2 1 20 326.302 6

Activity (Go SEA)

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