UCSF

ZINC09339551

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 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) 4.22 8.23 -49.22 0 6 -1 73 494.782 6
Mid Mid (pH 6-8) 4.66 -0.87 -44.63 2 6 1 71 496.798 5
Mid Mid (pH 6-8) 3.63 -0.94 -48.72 1 6 1 68 496.798 6
Mid Mid (pH 6-8) 4.22 10.56 -62.04 1 6 0 74 495.79 6

Activity (Go SEA)

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