UCSF

ZINC37980077

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) -0.79 3.18 -50.63 4 9 1 127 283.312 5
Lo Low (pH 4.5-6) -0.79 5.76 -108.67 5 9 2 124 284.32 5

Activity (Go SEA)

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