UCSF

ZINC09323746

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 31 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) 5.63 12.56 -64.84 1 7 -1 116 431.449 5
Ref Reference (pH 7) 5.63 12.14 -60.83 1 7 -1 116 431.449 5

Activity (Go SEA)

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