UCSF

ZINC40189559

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 4.28 11.43 -14.75 1 6 0 67 400.567 11
Mid Mid (pH 6-8) 4.28 12.01 -34.18 2 6 1 68 401.575 11

Activity (Go SEA)

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