UCSF

ZINC21812114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 4.52 7.18 -39.92 2 2 1 20 281.489 5
Lo Low (pH 4.5-6) 4.52 9.61 -122.57 3 2 2 21 282.497 5

Activity (Go SEA)

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