UCSF

ZINC35707328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 33 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) 2.07 7.93 -14.75 2 8 0 77 453.587 9
Mid Mid (pH 6-8) 2.07 10.1 -41.9 3 8 1 78 454.595 9

Activity (Go SEA)

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