UCSF

ZINC22931538

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 22 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) 3.14 9.76 -41.49 1 3 1 21 298.454 8
Hi High (pH 8-9.5) 3.14 7.29 -4.41 0 3 0 19 297.446 8
Lo Low (pH 4.5-6) 3.14 10.22 -90.93 2 3 2 22 299.462 8

Activity (Go SEA)

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