UCSF

ZINC68163506

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2011 24 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) 2.73 10.21 -18.75 1 5 0 53 331.46 6
Lo Low (pH 4.5-6) 2.73 10.63 -39.5 2 5 0 54 332.468 6

Activity (Go SEA)

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