UCSF

ZINC09015464

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 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) 4.94 11.27 -56.86 0 4 -1 60 382.867 6
Mid Mid (pH 6-8) 4.36 11.52 -9.3 0 4 0 54 383.875 6
Mid Mid (pH 6-8) 5.39 11.26 -17.22 1 4 0 58 383.875 5

Activity (Go SEA)

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