UCSF

ZINC37390794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 2.42 8.05 -103.11 4 3 2 41 290.451 7
Hi High (pH 8-9.5) 2.42 8.59 -39.86 3 3 1 44 289.443 7
Hi High (pH 8-9.5) 2.42 6.7 -37.32 3 3 1 37 289.443 7

Activity (Go SEA)

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