UCSF

ZINC17605225

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2008 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) 2.90 6.42 -27.09 2 7 0 96 441.534 6
Hi High (pH 8-9.5) 2.90 6.51 -57.65 1 7 -1 98 440.526 6

Activity (Go SEA)

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