UCSF

ZINC35895183

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 No

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) 3.95 11.77 -47.34 2 6 1 71 470.471 3
Mid Mid (pH 6-8) 3.95 9.29 -14.92 1 6 0 70 469.463 3

Activity (Go SEA)

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