UCSF

ZINC41511776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.10 10.51 -39.32 2 7 1 86 425.505 8
Mid Mid (pH 6-8) 5.10 11.08 -24.11 1 7 0 89 424.497 8

Activity (Go SEA)

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