UCSF

ZINC06439832

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 29 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) 3.45 7.94 -58.19 0 6 -1 79 414.865 8
Lo Low (pH 4.5-6) 3.45 7.17 -13.43 1 6 0 76 415.873 8

Activity (Go SEA)

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