UCSF

ZINC33794908

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 3.39 7.16 -17.41 2 7 0 74 515.452 8
Mid Mid (pH 6-8) 3.39 9.49 -56.76 3 7 1 75 516.46 8

Activity (Go SEA)

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