UCSF

ZINC41669632

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.87 9.57 -9.11 0 4 0 43 440.337 2
Mid Mid (pH 6-8) 5.87 12.36 -50.02 1 4 1 44 441.345 2

Activity (Go SEA)

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