UCSF

ZINC41400953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.74 10.25 -11.41 0 5 0 50 366.461 7
Mid Mid (pH 6-8) 3.74 12.39 -49.38 1 5 1 51 367.469 7

Activity (Go SEA)

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