UCSF

ZINC20246030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 2.77 8.69 -47.69 2 4 1 47 279.367 5
Hi High (pH 8-9.5) 2.77 7.29 -8.2 1 4 0 43 278.359 5

Activity (Go SEA)

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