UCSF

ZINC19999576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 24 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) -1.37 -0.02 -16.79 0 8 0 66 340.424 4
Lo Low (pH 4.5-6) -1.37 2.19 -52.58 1 8 1 67 341.432 4

Activity (Go SEA)

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