UCSF

ZINC33703376

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 34 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) 3.23 13.61 -26.3 2 6 0 94 462.59 5
Hi High (pH 8-9.5) 3.23 11.65 -55.65 1 6 -1 90 461.582 5

Activity (Go SEA)

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