UCSF

ZINC20130264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 No

Download: MOL2 SDF SMILES Flexibase

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) 4.58 9.14 -56.39 0 6 -1 73 512.424 7
Mid Mid (pH 6-8) 4.58 11.49 -67.3 1 6 0 74 513.432 7

Activity (Go SEA)

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