UCSF

ZINC37866852

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) -0.71 8.14 -34.97 2 6 1 73 382.484 4
Lo Low (pH 4.5-6) -4.26 5.78 -101.47 3 6 2 76 383.492 3

Activity (Go SEA)

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