UCSF

ZINC50067997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 2.55 7.56 -41.7 2 5 1 60 273.397 11
Hi High (pH 8-9.5) 2.55 5.3 -8.92 1 5 0 59 272.389 11

Activity (Go SEA)

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