UCSF

ZINC22944464

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) 3.92 10.19 -37.95 1 4 1 26 351.47 2
Hi High (pH 8-9.5) 3.92 7.79 -5.17 0 4 0 25 350.462 2
Lo Low (pH 4.5-6) 3.92 9.03 -35.97 1 4 1 26 351.47 2

Activity (Go SEA)

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