UCSF

ZINC21715680

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 3.44 10.56 -10.78 1 4 0 49 371.415 2
Lo Low (pH 4.5-6) 3.44 11 -54.2 2 4 1 50 372.423 2

Activity (Go SEA)

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