UCSF

ZINC41586721

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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) 6.00 12.58 -9.47 0 4 0 43 425.528 5
Mid Mid (pH 6-8) 6.00 15.46 -52.13 1 4 1 44 426.536 5

Activity (Go SEA)

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