UCSF

ZINC09350870

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 35 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) 3.81 8.32 -68.32 1 7 -1 99 472.517 10
Mid Mid (pH 6-8) 4.25 7.79 -22.94 2 7 0 96 473.525 9

Activity (Go SEA)

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