UCSF

ZINC26420420

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 20 Yes

Other Names:

MFCD16652688

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) 3.50 5.33 -13.78 1 4 0 55 264.284 3
Mid Mid (pH 6-8) 3.95 4.57 -47 0 4 -1 58 263.276 3

Activity (Go SEA)

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