UCSF

ZINC37946418

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.13 4.86 -37.35 4 3 1 60 261.37 5
Mid Mid (pH 6-8) 2.13 3.78 -8.9 3 3 0 55 260.362 5

Activity (Go SEA)

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