UCSF

ZINC46055852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 19 Yes

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) 3.66 10.24 -32.53 1 2 1 17 275.441 6
Hi High (pH 8-9.5) 3.66 8.22 -4.47 0 2 0 16 274.433 6

Activity (Go SEA)

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