UCSF

ZINC40189883

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) 1.78 9.34 -19.53 1 7 0 76 394.475 8
Mid Mid (pH 6-8) 1.78 9.89 -39.38 2 7 1 78 395.483 8

Activity (Go SEA)

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