UCSF

ZINC52289881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 1.68 2.39 -48.41 4 3 1 57 185.291 4
Hi High (pH 8-9.5) 1.68 2.16 -6.25 3 3 0 55 184.283 4

Activity (Go SEA)

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