UCSF

ZINC35111594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 34 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) 5.26 12.02 -11.33 1 6 0 71 494.016 7
Lo Low (pH 4.5-6) 1.59 13.05 -41.24 2 6 1 70 495.024 8

Activity (Go SEA)

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