UCSF

ZINC41679029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.64 6.36 -29.42 2 3 0 57 278.171 5
Hi High (pH 8-9.5) 2.64 5.28 -44.69 1 3 -1 52 277.163 5

Activity (Go SEA)

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