UCSF

ZINC20142123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 17 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) 2.62 6.04 -47.56 2 2 1 26 248.268 7
Hi High (pH 8-9.5) 2.62 4.63 -5.06 1 2 0 21 247.26 7

Activity (Go SEA)

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