UCSF

ZINC68729136

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2011 36 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) 4.15 11.08 -21.88 2 6 0 65 490.554 6
Lo Low (pH 4.5-6) 4.15 12.78 -54.24 3 6 1 66 491.562 6

Activity (Go SEA)

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