UCSF

ZINC04057636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) 1.46 5.87 -55.42 3 3 1 45 218.324 3
Mid Mid (pH 6-8) 1.46 6.31 -93.33 4 3 2 47 219.332 3

Activity (Go SEA)

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