UCSF

ZINC05125986

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 24 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) 2.71 7.64 -52.5 0 4 -1 60 328.294 3
Mid Mid (pH 6-8) 3.15 1.23 -28.02 1 4 0 57 329.302 2
Mid Mid (pH 6-8) 2.12 1.53 -21.64 0 4 0 54 329.302 3

Activity (Go SEA)

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