UCSF

ZINC39759570

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 26 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) 3.59 8.1 -26.53 2 6 0 84 386.864 5
Hi High (pH 8-9.5) 3.66 6.42 -66.48 1 6 -1 90 385.856 5

Activity (Go SEA)

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