UCSF

ZINC09302160

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 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) 3.55 11.22 -51.63 0 10 -1 145 496.452 7
Mid Mid (pH 6-8) 2.96 1.72 -19.36 0 10 0 139 497.46 7
Mid Mid (pH 6-8) 3.99 10.63 -26.56 1 10 0 143 497.46 6

Activity (Go SEA)

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