UCSF

ZINC16677165

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 33 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 5.08 -57.91 2 9 1 108 495.647 8
Mid Mid (pH 6-8) 2.13 2.65 -21.57 1 9 0 107 494.639 8

Activity (Go SEA)

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