UCSF

ZINC31908311

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 2.44 7.31 -109.23 4 4 2 45 327.472 7
Mid Mid (pH 6-8) 2.44 4.93 -47.46 3 4 1 43 326.464 7
Mid Mid (pH 6-8) 2.44 7.31 -98.29 4 4 2 45 327.472 7

Activity (Go SEA)

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