UCSF

ZINC06407280

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 25 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) 3.47 9.67 -61.28 0 4 -1 60 332.379 5
Mid Mid (pH 6-8) 2.89 10.1 -20.51 0 4 0 54 333.387 5
Mid Mid (pH 6-8) 3.92 8.87 -15.25 1 4 0 58 333.387 4

Activity (Go SEA)

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