UCSF

ZINC09186797

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 35 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) 4.86 12 -62.56 0 8 -1 113 487.513 6
Mid Mid (pH 6-8) 4.86 12.67 -18.23 1 8 0 110 488.521 6
Mid Mid (pH 6-8) 4.28 1.91 -17.46 0 8 0 106 488.521 6

Activity (Go SEA)

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