UCSF

ZINC34949760

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 2.13 3.57 -45.8 3 4 1 55 240.323 5
Hi High (pH 8-9.5) 2.13 3.34 -6.63 2 4 0 54 239.315 5

Activity (Go SEA)

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