UCSF

ZINC35568259

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 31 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) 2.06 7.34 -69.29 2 7 0 98 443.569 9
Lo Low (pH 4.5-6) 2.06 6.6 -44.57 3 7 1 95 444.577 9

Activity (Go SEA)

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