UCSF

ZINC39767415

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 4.18 3.96 -29.59 3 8 0 117 400.394 5
Hi High (pH 8-9.5) 4.25 1.82 -75.32 2 8 -1 124 399.386 5

Activity (Go SEA)

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