UCSF

ZINC42577694

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 Yes

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) 2.37 6.01 -124.83 4 3 2 41 266.429 8
Mid Mid (pH 6-8) 2.37 5.1 -41.8 3 3 1 40 265.421 8
Mid Mid (pH 6-8) 2.37 6.95 -26 3 3 1 40 265.421 8

Activity (Go SEA)

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