UCSF

ZINC06238883

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 30 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) 2.67 7.06 -63.54 0 7 -1 88 410.446 9
Mid Mid (pH 6-8) 3.12 -0.23 -25.51 1 7 0 85 411.454 8

Activity (Go SEA)

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