UCSF

ZINC09122230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 27 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) 3.94 9.78 -59.32 0 5 -1 73 440.298 4
Lo Low (pH 4.5-6) 3.94 8.96 -16.33 1 5 0 71 441.306 4

Activity (Go SEA)

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