UCSF

ZINC08061006

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 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) 4.72 9.67 -14.75 1 7 0 95 406.438 7
Lo Low (pH 4.5-6) 4.72 10.33 -35.67 2 7 1 96 407.446 7

Activity (Go SEA)

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