UCSF

ZINC14974080

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 30 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) 2.53 10.25 -53.91 1 7 1 61 415.558 8
Hi High (pH 8-9.5) 2.53 7.97 -13.75 0 7 0 60 414.55 8

Activity (Go SEA)

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