UCSF

ZINC06196219

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 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) 3.64 10.13 -54.63 0 8 -1 105 476.534 9
Mid Mid (pH 6-8) 4.09 0.78 -17.16 1 8 0 101 477.542 8

Activity (Go SEA)

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