UCSF

ZINC40191842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 36 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) 6.36 16.28 -11.3 1 5 0 56 481.64 13
Mid Mid (pH 6-8) 6.36 16.84 -35.11 2 5 1 57 482.648 13

Activity (Go SEA)

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