UCSF

ZINC41514631

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.92 13.88 -54.4 2 5 1 60 439.535 5
Hi High (pH 8-9.5) 4.92 12.09 -45.11 0 5 -1 61 437.519 5
Mid Mid (pH 6-8) 4.92 11.53 -11.69 1 5 0 59 438.527 5
Mid Mid (pH 6-8) 4.92 14.45 -36.14 1 5 0 63 438.527 5

Activity (Go SEA)

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