UCSF

ZINC23247739

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 2.71 8.92 -41.23 1 3 1 21 298.454 7
Hi High (pH 8-9.5) 2.71 6.82 -4.81 0 3 0 19 297.446 7
Mid Mid (pH 6-8) 2.71 9.29 -41.14 1 3 1 21 298.454 7
Lo Low (pH 4.5-6) 2.71 9.75 -84.93 2 3 2 22 299.462 7

Activity (Go SEA)

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