UCSF

ZINC40187111

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 3.64 10.82 -16.66 1 6 0 67 424.932 5
Mid Mid (pH 6-8) 3.64 11.2 -36.33 2 6 1 68 425.94 5

Activity (Go SEA)

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