UCSF

ZINC34660662

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 2.00 5.21 -37.97 3 4 1 55 271.768 6
Hi High (pH 8-9.5) 2.00 3.76 -10.42 2 4 0 50 270.76 6

Activity (Go SEA)

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