UCSF

ZINC20123056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 Yes

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) 3.52 7.53 -38.58 2 3 1 33 277.432 5
Mid Mid (pH 6-8) 3.52 9.92 -120.56 3 3 2 34 278.44 5

Activity (Go SEA)

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