UCSF

ZINC04101765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 25 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) 1.64 4.78 -43.31 0 7 -1 92 362.362 3
Mid Mid (pH 6-8) 1.64 4.67 -14.67 1 7 0 90 363.37 3

Activity (Go SEA)

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