UCSF

ZINC25499857

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 6.44 15.38 -11.8 2 4 0 58 395.506 4
Hi High (pH 8-9.5) 6.90 13.79 -56.09 1 4 -1 61 394.498 4

Activity (Go SEA)

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