UCSF

ZINC39949204

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 35 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) -3.26 0.38 -80.47 7 13 0 204 498.581 12
Hi High (pH 8-9.5) -3.26 0.76 -54.85 6 13 -1 203 497.573 12

Activity (Go SEA)

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