UCSF

ZINC40190831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.34 5.38 -10.14 1 5 0 56 273.336 6
Mid Mid (pH 6-8) 1.34 5.87 -31.01 2 5 1 57 274.344 6

Activity (Go SEA)

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