UCSF

ZINC18202365

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 27 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) 2.90 8 -57.06 0 6 -1 83 433.278 7
Lo Low (pH 4.5-6) 2.90 7.25 -11.85 1 6 0 80 434.286 7

Activity (Go SEA)

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