UCSF

ZINC35219538

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) -1.05 0.84 -21.56 2 8 0 112 255.23 5
Hi High (pH 8-9.5) -0.59 -1.02 -50.33 1 8 -1 115 254.222 5

Activity (Go SEA)

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