UCSF

ZINC31257223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 2.25 3.68 -16.29 2 5 0 75 248.282 4
Mid Mid (pH 6-8) 2.71 1.93 -57.21 1 5 -1 78 247.274 4

Activity (Go SEA)

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