UCSF

ZINC36698289

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 36 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) 6.73 10.92 -15.31 1 7 0 90 523.68 8
Mid Mid (pH 6-8) 6.73 10.94 -57.6 0 7 -1 92 522.672 8

Activity (Go SEA)

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