UCSF

ZINC43629456

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 16 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) 1.56 6.94 -33.13 1 4 1 44 224.28 6
Hi High (pH 8-9.5) 1.56 4.81 -7.58 0 4 0 43 223.272 6

Activity (Go SEA)

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