UCSF

ZINC20029897

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 14 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) 2.22 2.66 -11.44 1 3 0 46 278.171 3
Hi High (pH 8-9.5) 2.22 2.36 -36.27 0 3 -1 48 277.163 3

Activity (Go SEA)

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