UCSF

ZINC35863381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.37 6.43 -104.22 3 5 2 51 311.401 6
Hi High (pH 8-9.5) 0.37 4.93 -48.78 2 5 1 46 310.393 6

Activity (Go SEA)

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