UCSF

ZINC31975653

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) 1.66 7.95 -72.08 3 5 1 65 321.404 2
Hi High (pH 8-9.5) 1.66 7.63 -21.83 2 5 0 64 320.396 2
Mid Mid (pH 6-8) 1.66 8.35 -115.69 4 5 2 67 322.412 2

Activity (Go SEA)

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