UCSF

ZINC48781762

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.85 3.43 -43.68 3 6 0 98 275.239 3
Mid Mid (pH 6-8) -0.78 2.01 -84.63 2 6 -1 104 274.231 3

Activity (Go SEA)

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