UCSF

ZINC04155512

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 20 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) 3.79 -1.19 -8.98 1 3 0 38 290.432 6
Mid Mid (pH 6-8) 3.79 -0.94 -27.54 2 3 1 39 291.44 6

Activity (Go SEA)

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