UCSF

ZINC20573408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 26 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) 5.97 12.85 -35.59 2 2 1 16 392.394 7
Mid Mid (pH 6-8) 5.97 11.69 -45.65 2 2 1 20 392.394 7

Activity (Go SEA)

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