UCSF

ZINC38603510

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 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) 1.03 3.26 -38.42 3 5 -1 91 304.127 1
Mid Mid (pH 6-8) 1.83 4.07 -36.96 3 5 -1 85 304.127 1
Mid Mid (pH 6-8) 1.83 4.04 -14.66 4 5 0 88 305.135 1

Activity (Go SEA)

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