UCSF

ZINC20543566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 2.82 8.47 -43.36 2 4 1 37 280.367 3
Mid Mid (pH 6-8) 2.82 6.55 -7.31 1 4 0 36 279.359 3

Activity (Go SEA)

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