UCSF

ZINC19797646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 17 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) 2.12 9.28 -89.59 3 4 2 38 232.331 2
Hi High (pH 8-9.5) 2.12 6.65 -7.75 1 4 0 35 230.315 2
Mid Mid (pH 6-8) 2.12 8.86 -42.79 2 4 1 36 231.323 2

Activity (Go SEA)

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