UCSF

ZINC39972115

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 26 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) 3.93 9.17 -41.47 2 5 1 50 393.964 6
Mid Mid (pH 6-8) 3.93 9.38 -46.63 2 5 1 50 393.964 6
Mid Mid (pH 6-8) 3.75 8.56 -32.25 1 5 0 56 392.956 6
Mid Mid (pH 6-8) 3.93 7.18 -9.37 1 5 0 48 392.956 6

Activity (Go SEA)

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