UCSF

ZINC41663851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 3.88 7.93 -13.97 0 8 0 85 494.931 4
Mid Mid (pH 6-8) 3.88 10.2 -49.54 1 8 1 87 495.939 4
Lo Low (pH 4.5-6) 3.88 10.76 -49.78 1 8 1 87 495.939 4

Activity (Go SEA)

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