UCSF

ZINC21955984

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 2.13 3.63 -37.51 2 4 1 38 253.366 7
Hi High (pH 8-9.5) 2.13 2.31 -4.5 1 4 0 34 252.358 7
Mid Mid (pH 6-8) 2.13 5.89 -110.43 3 4 2 40 254.374 7
Mid Mid (pH 6-8) 2.13 4.88 -35.84 2 4 1 35 253.366 7

Activity (Go SEA)

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