UCSF

ZINC40189226

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 27 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) 4.32 10.36 -13.78 1 5 0 56 365.477 9
Mid Mid (pH 6-8) 4.32 10.86 -34.65 2 5 1 57 366.485 9

Activity (Go SEA)

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