UCSF

ZINC39355666

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.08 11.63 -106.76 3 6 2 74 490.003 5
Hi High (pH 8-9.5) 5.08 9.65 -36.33 2 6 1 73 488.995 5

Activity (Go SEA)

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