UCSF

ZINC60133395

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 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) 4.63 12.68 -30.74 1 3 1 11 338.519 5
Hi High (pH 8-9.5) 4.63 10.87 -4.03 0 3 0 10 337.511 5

Activity (Go SEA)

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