UCSF

ZINC07471984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.85 10.93 -40.83 1 6 1 63 400.553 5
Mid Mid (pH 6-8) 2.85 10.62 -13.41 0 6 0 62 399.545 5

Activity (Go SEA)

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