UCSF

ZINC02591075

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2004 29 No

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) -0.40 5.82 -18.02 2 8 0 90 419.482 5
Mid Mid (pH 6-8) -0.40 7.89 -68.74 3 8 1 92 420.49 5

Activity (Go SEA)

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