UCSF

ZINC40123391

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 30 No

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) 2.20 4.19 -57.16 1 8 -1 106 412.418 7
Lo Low (pH 4.5-6) 2.20 3.43 -18.19 2 8 0 103 413.426 7

Activity (Go SEA)

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