UCSF

ZINC40110315

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 38 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) 5.80 13.59 -62.19 0 7 -1 96 516.545 11
Lo Low (pH 4.5-6) 5.80 12.84 -19.34 1 7 0 93 517.553 11

Activity (Go SEA)

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