UCSF

ZINC08741031

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 32 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) 3.02 9.48 -57.71 0 8 -1 113 455.443 6
Mid Mid (pH 6-8) 3.46 9.45 -14.97 1 8 0 110 456.451 5
Mid Mid (pH 6-8) 2.43 10.85 -13.72 0 8 0 107 456.451 6

Activity (Go SEA)

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