UCSF

ZINC51189424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2010 23 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) 3.73 7.83 -45.95 2 4 1 48 315.437 6
Hi High (pH 8-9.5) 3.73 6.48 -7.37 1 4 0 43 314.429 6
Lo Low (pH 4.5-6) 3.73 7.16 -33.75 2 4 1 45 315.437 6

Activity (Go SEA)

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