UCSF

ZINC20217639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 0.15 3.69 -97.17 4 4 2 48 225.336 3
Hi High (pH 8-9.5) 0.15 1.68 -47.58 3 4 1 47 224.328 3

Activity (Go SEA)

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