UCSF

ZINC00696194

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 2.17 9.36 -17.89 0 6 0 53 447.576 9
Mid Mid (pH 6-8) 2.17 11.69 -43.91 1 6 1 54 448.584 9

Activity (Go SEA)

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