UCSF

ZINC68688752

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2011 20 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) 1.69 9.09 -62.36 0 6 -1 87 284.332 8
Lo Low (pH 4.5-6) 1.69 7.13 -13.41 1 6 0 84 285.34 8

Activity (Go SEA)

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