UCSF

ZINC42766345

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.14 7.29 -54.37 3 2 1 30 291.362 6
Mid Mid (pH 6-8) 3.14 5.48 -13.47 2 2 0 29 290.354 6

Activity (Go SEA)

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