UCSF

ZINC51261020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.45 3.12 -57.35 3 7 1 83 311.406 6
Mid Mid (pH 6-8) 0.45 0.93 -22.47 2 7 0 82 310.398 6

Activity (Go SEA)

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