UCSF

ZINC20142927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.71 5.63 -36.31 2 2 1 26 214.354 7
Hi High (pH 8-9.5) 2.71 4.31 -3.81 1 2 0 21 213.346 7

Activity (Go SEA)

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