UCSF

ZINC37393565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 13 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) -0.74 -1.77 -38.47 3 4 1 49 189.279 6
Lo Low (pH 4.5-6) -0.74 0.5 -100.78 4 4 2 51 190.287 6

Activity (Go SEA)

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