UCSF

ZINC40191426

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 No

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) 6.59 14.26 -10.54 1 5 0 56 453.586 9
Mid Mid (pH 6-8) 6.59 14.83 -34.2 2 5 1 57 454.594 9

Activity (Go SEA)

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