UCSF

ZINC46702906

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 17 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) 1.69 5.49 -16.23 1 5 0 72 252.295 4
Hi High (pH 8-9.5) 2.14 2.5 -52.35 0 5 -1 75 251.287 4

Activity (Go SEA)

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