UCSF

ZINC06420384

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 30 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) 3.81 10.41 -44.48 0 5 -1 70 398.438 6
Mid Mid (pH 6-8) 3.81 10.13 -14.67 1 5 0 67 399.446 6
Mid Mid (pH 6-8) 3.23 10.81 -24.69 0 5 0 64 399.446 6

Activity (Go SEA)

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