UCSF

ZINC41679629

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) -0.92 -1.56 -86.26 7 6 2 104 232.328 8
Hi High (pH 8-9.5) -0.92 -1.93 -46.04 6 6 1 103 231.32 8

Activity (Go SEA)

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