UCSF

ZINC22851183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 24 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) 3.08 4.22 -33.86 2 4 1 31 340.576 8
Hi High (pH 8-9.5) 3.08 4.29 -35.04 2 4 1 31 340.576 8
Hi High (pH 8-9.5) 3.08 6.66 -92.21 3 4 2 32 341.584 8
Lo Low (pH 4.5-6) 3.08 6.58 -119.51 3 4 2 32 341.584 8
Lo Low (pH 4.5-6) 3.08 6.47 -102.14 3 4 2 32 341.584 8

Activity (Go SEA)

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