UCSF

ZINC41514798

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 Yes

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) 3.69 10.76 -43.26 2 5 1 68 373.432 5
Mid Mid (pH 6-8) 3.69 8.4 -12.8 1 5 0 67 372.424 5
Lo Low (pH 4.5-6) 3.69 11.15 -84.71 3 5 2 69 374.44 5

Activity (Go SEA)

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