UCSF

ZINC09969625

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) 4.53 11.17 -45.55 1 5 -1 81 426.492 6
Mid Mid (pH 6-8) 3.94 -0.55 -22.32 1 5 0 74 427.5 6
Mid Mid (pH 6-8) 4.97 -0.79 -27.18 2 5 0 78 427.5 5

Activity (Go SEA)

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