UCSF

ZINC06728759

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 23 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) 2.37 8.69 -100.62 3 5 2 51 316.38 4
Mid Mid (pH 6-8) 2.37 6.52 -34.33 2 5 1 50 315.372 4

Activity (Go SEA)

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