UCSF

ZINC04155309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 6.05 -1.13 -7.11 1 4 0 38 414.347 5
Mid Mid (pH 6-8) 6.05 -0.95 -27.03 2 4 1 39 415.355 5

Activity (Go SEA)

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