UCSF

ZINC09271674

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) 2.05 5.61 -65.05 0 9 -1 105 469.514 9
Mid Mid (pH 6-8) 2.05 7.88 -78.17 1 9 0 106 470.522 9

Activity (Go SEA)

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