UCSF

ZINC22927782

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) 3.46 8.78 -37.88 1 3 1 21 275.416 8
Hi High (pH 8-9.5) 3.46 6.56 -4.55 0 3 0 20 274.408 8
Mid Mid (pH 6-8) 3.46 8.85 -37.96 1 3 1 21 275.416 8
Mid Mid (pH 6-8) 3.46 11.05 -114.28 2 3 2 22 276.424 8

Activity (Go SEA)

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