UCSF

ZINC43261084

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 2.89 4.13 -51.59 3 2 1 31 332.209 5
Hi High (pH 8-9.5) 2.89 3.87 -4.63 2 2 0 29 331.201 5

Activity (Go SEA)

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