UCSF

ZINC37808292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.62 4.57 -41.52 3 4 1 57 265.377 5
Hi High (pH 8-9.5) 1.62 4.26 -10.49 2 4 0 56 264.369 5

Activity (Go SEA)

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