UCSF

ZINC33876878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 37 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) 4.58 10.87 -14.18 2 7 0 74 506.691 10
Mid Mid (pH 6-8) 4.58 13.15 -53.29 3 7 1 75 507.699 10

Activity (Go SEA)

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