UCSF

ZINC33735666

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 2.39 10.35 -19.07 0 7 0 66 453.583 11
Mid Mid (pH 6-8) 2.39 12.69 -53.93 1 7 1 67 454.591 11

Activity (Go SEA)

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