UCSF

ZINC35324383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 28 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) 3.05 8.87 -13.57 1 7 0 75 397.818 3
Lo Low (pH 4.5-6) 3.05 9.33 -50.13 2 7 1 76 398.826 3

Activity (Go SEA)

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