UCSF

ZINC06622009

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 3.41 9.35 -66.37 0 5 -1 70 380.464 5
Mid Mid (pH 6-8) 3.41 0.35 -14.48 1 5 0 66 381.472 5
Mid Mid (pH 6-8) 2.82 0.22 -25.06 0 5 0 63 381.472 5

Activity (Go SEA)

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