UCSF

ZINC20278691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) 0.90 4.94 -80.13 5 4 2 57 210.325 6
Mid Mid (pH 6-8) 0.90 4.57 -40.52 4 4 1 55 209.317 6

Activity (Go SEA)

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