UCSF

ZINC35348791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 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) 1.66 3.29 -50.74 2 6 -1 98 299.372 9
Lo Low (pH 4.5-6) 1.66 1.32 -14.44 3 6 0 95 300.38 9

Activity (Go SEA)

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