UCSF

ZINC05677439

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 3.46 8.56 -12.97 1 6 0 81 333.344 6
Hi High (pH 8-9.5) 3.46 8.36 -48.51 0 6 -1 79 332.336 6

Activity (Go SEA)

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