UCSF

ZINC35273647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 33 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) 5.37 12.26 -55.28 0 5 -1 70 460.937 8
Lo Low (pH 4.5-6) 5.37 11.52 -11.38 1 5 0 67 461.945 8

Activity (Go SEA)

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