UCSF

ZINC19986933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) -0.30 3.54 -78.07 3 5 0 89 291.376 4
Hi High (pH 8-9.5) -0.30 2.78 -52.92 2 5 -1 87 290.368 4
Mid Mid (pH 6-8) -0.12 3.74 -76.31 4 5 1 90 292.384 3

Activity (Go SEA)

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