UCSF

ZINC34527824

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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) 0.07 -0.28 -91.7 7 5 2 69 273.469 0
Hi High (pH 8-9.5) 0.07 -3.75 -0.41 5 5 0 60 271.453 0
Mid Mid (pH 6-8) 0.07 -0.56 -87.56 7 5 2 69 273.469 0
Mid Mid (pH 6-8) 0.07 -0.82 -96.33 7 5 2 69 273.469 0
Mid Mid (pH 6-8) 0.07 -0.66 -99.91 7 5 2 69 273.469 0
Mid Mid (pH 6-8) 0.07 0.39 -210.44 8 5 3 74 274.477 0
Lo Low (pH 4.5-6) 0.07 1.04 -196.58 8 5 3 74 274.477 0
Lo Low (pH 4.5-6) 0.07 1.08 -195.93 8 5 3 74 274.477 0

Activity (Go SEA)

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