UCSF

ZINC26474878

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) 2.69 5.63 -58.27 0 3 -1 53 200.217 1
Mid Mid (pH 6-8) 2.69 6.03 -28.58 1 3 0 54 201.225 1

Activity (Go SEA)

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