UCSF

ZINC09457943

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 39 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) 4.37 12.47 -62.23 0 8 -1 97 528.581 10
Mid Mid (pH 6-8) 4.82 10.49 -29.53 1 8 0 95 529.589 9

Activity (Go SEA)

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