UCSF

ZINC34855756

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 3.64 8.46 -11.69 1 5 0 51 414.521 7
Mid Mid (pH 6-8) 3.64 11.43 -44.51 2 5 1 52 415.529 7

Activity (Go SEA)

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