UCSF

ZINC37049369

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) -0.45 3.07 -90.33 5 6 2 68 299.463 8
Hi High (pH 8-9.5) -0.45 1.07 -51.12 4 6 1 66 298.455 8
Lo Low (pH 4.5-6) -0.45 4.91 -180.94 6 6 3 69 300.471 8

Activity (Go SEA)

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