UCSF

ZINC20124947

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 2.58 1.48 -14.92 4 4 0 75 276.723 4
Hi High (pH 8-9.5) 2.58 2.27 -46.58 3 4 -1 78 275.715 4

Activity (Go SEA)

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