UCSF

ZINC39917198

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 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) 4.59 10.91 -40.56 1 5 1 35 413.973 6
Mid Mid (pH 6-8) 4.59 11.62 -86.96 2 5 2 36 414.981 6
Mid Mid (pH 6-8) 4.59 10.78 -37.39 1 5 1 35 413.973 6
Mid Mid (pH 6-8) 4.59 8.53 -8.48 0 5 0 34 412.965 6

Activity (Go SEA)

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