UCSF

ZINC41077935

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 37 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) 6.15 10.6 -50.83 0 7 -1 93 497.571 8
Lo Low (pH 4.5-6) 5.69 13.03 -12.9 1 7 0 90 498.579 8

Activity (Go SEA)

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