UCSF

ZINC39937005

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 32 No

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) 0.47 2.37 -15.35 1 10 0 116 460.56 7
Mid Mid (pH 6-8) 0.47 3.63 -59.75 2 10 1 121 461.568 7

Activity (Go SEA)

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