UCSF

ZINC40138802

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 35 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) 6.03 11.59 -26.96 2 7 0 93 465.509 7
Hi High (pH 8-9.5) 6.03 12.58 -73.47 1 7 -1 96 464.501 7

Activity (Go SEA)

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