UCSF

ZINC12140819

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 35 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) 4.60 12.88 -50.74 1 7 1 73 488.589 7
Hi High (pH 8-9.5) 4.60 10.49 -12.87 0 7 0 72 487.581 7

Activity (Go SEA)

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