UCSF

ZINC51445510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 22 Yes

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) 2.81 4.14 -11.7 2 5 0 70 324.808 4
Hi High (pH 8-9.5) 2.81 4.99 -45.95 1 5 -1 72 323.8 4

Activity (Go SEA)

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