UCSF

ZINC44703685

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.37 2.28 -15.55 1 5 0 53 281.381 4
Mid Mid (pH 6-8) 0.37 4.46 -45.41 2 5 1 54 282.389 4

Activity (Go SEA)

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