UCSF

ZINC40249882

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 32 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) 6.31 13.93 -14.06 0 5 0 46 430.548 9
Mid Mid (pH 6-8) 6.31 14.46 -32.13 1 5 1 47 431.556 9

Activity (Go SEA)

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