UCSF

ZINC43462404

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 0.42 2.68 -35.13 2 4 1 44 184.263 5
Hi High (pH 8-9.5) 0.42 1.46 -6.13 1 4 0 39 183.255 5

Activity (Go SEA)

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