UCSF

ZINC06622489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 27 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) 2.43 -1.56 -15.45 2 6 0 90 381.409 5
Mid Mid (pH 6-8) 1.85 -1.74 -20.38 1 6 0 87 381.409 5

Activity (Go SEA)

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