UCSF

ZINC06744769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 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) 3.51 8.51 -12.34 2 6 0 82 416.868 4
Mid Mid (pH 6-8) 3.51 9.27 -50.67 1 6 -1 85 415.86 4
Lo Low (pH 4.5-6) 3.51 8.97 -44.96 3 6 1 83 417.876 4

Activity (Go SEA)

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