UCSF

ZINC12381027

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 29 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) 2.57 6.48 -93.49 0 8 -2 124 457.236 5
Lo Low (pH 4.5-6) 2.11 9.14 -52.2 1 8 -1 121 458.244 5

Activity (Go SEA)

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