UCSF

ZINC09271173

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 3.49 9.44 -58.39 0 9 -1 122 481.506 8
Mid Mid (pH 6-8) 3.94 8.54 -24.57 1 9 0 119 482.514 7

Activity (Go SEA)

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