UCSF

ZINC20216678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 12 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) 0.83 0.99 -49.64 4 2 1 48 235.076 2
Hi High (pH 8-9.5) 0.83 0.41 -4.11 3 2 0 46 234.068 2

Activity (Go SEA)

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