UCSF

ZINC04381649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 27 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) 6.17 10.98 -13.68 1 4 0 39 365.521 6
Mid Mid (pH 6-8) 6.17 11.42 -25.6 2 4 1 40 366.529 6

Activity (Go SEA)

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