UCSF

ZINC06361897

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 24 Yes

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) 3.96 5.9 -50.12 1 5 -1 77 365.862 7
Mid Mid (pH 6-8) 3.96 5.88 -12.25 2 5 0 75 366.87 7

Activity (Go SEA)

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