UCSF

ZINC58519875

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 40 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.88 10.99 -23.42 2 8 0 95 537.616 7
Hi High (pH 8-9.5) 5.88 11.66 -57.23 1 8 -1 98 536.608 7

Activity (Go SEA)

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