UCSF

ZINC22931062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 0.89 2.36 -46.26 4 8 1 95 370.518 10
Hi High (pH 8-9.5) 0.89 2.36 -45.75 4 8 1 95 370.518 10
Hi High (pH 8-9.5) 0.89 0.13 -18.72 3 8 0 94 369.51 10

Activity (Go SEA)

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