UCSF

ZINC41541659

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 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) 2.92 10.96 -64.13 1 7 0 83 501.425 6
Lo Low (pH 4.5-6) 2.92 10.2 -48.99 2 7 1 80 502.433 6

Activity (Go SEA)

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