UCSF

ZINC53298688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 22 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) 3.58 8.69 -32.46 2 3 1 43 288.374 2
Mid Mid (pH 6-8) 3.58 7.79 -7.82 1 3 0 41 287.366 2

Activity (Go SEA)

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