UCSF

ZINC31960091

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) 1.36 3.55 -55.91 3 7 -1 114 328.348 8
Mid Mid (pH 6-8) 1.36 4.02 -75.1 4 7 0 116 329.356 8
Lo Low (pH 4.5-6) 1.36 2.9 -49.19 5 7 1 113 330.364 8

Activity (Go SEA)

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