UCSF

ZINC39355659

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) 5.85 13.94 -100.35 3 5 2 65 488.031 4
Hi High (pH 8-9.5) 5.85 11.9 -31.15 2 5 1 63 487.023 4

Activity (Go SEA)

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