UCSF

ZINC09462465

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 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) 4.40 11.88 -57.83 0 9 -1 125 501.515 10
Mid Mid (pH 6-8) 4.84 10.82 -30.46 1 9 0 122 502.523 9
Mid Mid (pH 6-8) 3.81 11.81 -26.58 0 9 0 119 502.523 10

Activity (Go SEA)

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