UCSF

ZINC31962944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.37 2.44 -55.49 4 6 1 76 330.387 4
Hi High (pH 8-9.5) 1.37 2.06 -13.88 3 6 0 74 329.379 4
Mid Mid (pH 6-8) 1.37 2.74 -102.89 5 6 2 77 331.395 4

Activity (Go SEA)

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