UCSF

ZINC25407681

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 24 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) 2.09 5.6 -45.6 3 6 1 72 334.44 5
Hi High (pH 8-9.5) 2.09 3.49 -13.57 2 6 0 71 333.432 5

Activity (Go SEA)

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