UCSF

ZINC35895136

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 3.61 14.06 -44.09 1 5 1 45 434.604 5
Hi High (pH 8-9.5) 3.61 12.12 -11.66 0 5 0 44 433.596 5

Activity (Go SEA)

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