UCSF

ZINC37374430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 1.39 10.54 -31 1 4 0 48 276.38 4
Hi High (pH 8-9.5) 1.39 8.94 -46.82 0 4 -1 47 275.372 4

Activity (Go SEA)

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