UCSF

ZINC31237214

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 33 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) 3.47 9.49 -58.07 1 8 1 82 451.547 8
Mid Mid (pH 6-8) 3.47 7.24 -16.29 0 8 0 81 450.539 8

Activity (Go SEA)

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