UCSF

ZINC37820608

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 0.46 3.18 -41.31 2 5 1 49 300.448 3
Mid Mid (pH 6-8) 0.46 5.05 -95.19 3 5 2 51 301.456 3
Mid Mid (pH 6-8) 0.46 1.85 -7.34 1 5 0 45 299.44 3
Mid Mid (pH 6-8) 0.46 3.8 -46.33 2 5 1 46 300.448 3

Activity (Go SEA)

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