UCSF

ZINC09046165

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 34 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) 3.43 10.59 -70.46 2 8 0 107 467.566 9
Hi High (pH 8-9.5) 3.43 8.11 -58.66 1 8 -1 106 466.558 9
Mid Mid (pH 6-8) 3.88 11.6 -52.35 3 8 1 104 468.574 8

Activity (Go SEA)

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