UCSF

ZINC06149731

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 27 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) 3.82 9.5 -63.53 0 5 -1 70 364.421 7
Mid Mid (pH 6-8) 4.27 0.72 -20.88 1 5 0 66 365.429 6

Activity (Go SEA)

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