UCSF

ZINC22931228

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.13 6.19 -39.21 2 4 1 37 284.468 7
Hi High (pH 8-9.5) 2.13 3.87 -6.78 1 4 0 36 283.46 7
Mid Mid (pH 6-8) 2.13 5.25 -36.98 2 4 1 40 284.468 7
Lo Low (pH 4.5-6) 2.13 7.94 -112.24 3 4 2 41 285.476 7

Activity (Go SEA)

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