UCSF

ZINC37235572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) -1.43 0.92 -52.16 3 6 1 69 271.385 6
Hi High (pH 8-9.5) -1.43 -0.27 -15.71 2 6 0 65 270.377 6
Lo Low (pH 4.5-6) -1.43 3.1 -117.96 4 6 2 70 272.393 6

Activity (Go SEA)

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