UCSF

ZINC41657830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 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) 4.11 8.47 -7.14 0 4 0 43 353.393 3
Mid Mid (pH 6-8) 4.11 10.97 -48.27 1 4 1 44 354.401 3

Activity (Go SEA)

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