UCSF

ZINC41657120

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 2.99 5.88 -9.41 0 6 0 55 406.482 5
Mid Mid (pH 6-8) 2.99 8.14 -47.23 1 6 1 56 407.49 5

Activity (Go SEA)

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