UCSF

ZINC35520702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 1.61 6.73 -75.59 2 8 0 107 459.568 9
Lo Low (pH 4.5-6) 1.61 5.83 -54.21 3 8 1 104 460.576 9

Activity (Go SEA)

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