UCSF

ZINC27654519

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) -0.80 -3.01 -18.16 3 7 0 105 354.1 2
Hi High (pH 8-9.5) -0.34 -4.82 -54.78 2 7 -1 108 353.092 2

Activity (Go SEA)

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