UCSF

ZINC37835711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.10 5.91 -65.72 1 6 0 68 285.388 7
Lo Low (pH 4.5-6) -0.10 5.84 -70.03 1 6 0 68 285.388 7
Lo Low (pH 4.5-6) -0.10 3.86 -41.13 2 6 1 65 286.396 7
Lo Low (pH 4.5-6) -0.10 8.3 -116.49 2 6 1 69 286.396 7

Activity (Go SEA)

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