UCSF

ZINC04155350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 25 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.63 -0.49 -9.71 1 4 0 38 400.32 4
Mid Mid (pH 6-8) 5.63 -0.19 -22.49 2 4 1 39 401.328 4

Activity (Go SEA)

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