UCSF

ZINC48333121

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 25 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) 2.38 8.82 -25.84 1 6 0 75 399.303 4
Hi High (pH 8-9.5) 2.57 6.02 -60.02 0 6 -1 82 398.295 4

Activity (Go SEA)

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