UCSF

ZINC51445366

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 24 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) 2.74 3.71 -13.82 2 6 0 79 334.416 6
Hi High (pH 8-9.5) 2.74 4.53 -51.62 1 6 -1 82 333.408 6

Activity (Go SEA)

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