UCSF

ZINC22788372

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 32 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) 3.17 9.31 -50.85 3 8 1 84 439.584 8
Hi High (pH 8-9.5) 3.17 7.09 -20.83 2 8 0 82 438.576 8
Lo Low (pH 4.5-6) 3.17 9.32 -54.45 3 8 1 84 439.584 8

Activity (Go SEA)

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