UCSF

ZINC34484288

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) -1.02 4.79 -73.95 1 5 -1 82 250.205 3
Mid Mid (pH 6-8) -1.02 2.79 -19.58 2 5 0 80 251.213 3
Lo Low (pH 4.5-6) -3.46 2.86 -38.03 2 5 0 84 251.213 3

Activity (Go SEA)

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