UCSF

ZINC19959755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) 2.57 7.41 -30.13 2 2 1 16 239.408 5
Hi High (pH 8-9.5) 2.57 5.2 -2.01 1 2 0 15 238.4 5
Mid Mid (pH 6-8) 2.57 6.56 -36.63 2 2 1 20 239.408 5
Mid Mid (pH 6-8) 2.57 8.62 -116.54 3 2 2 21 240.416 5

Activity (Go SEA)

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