UCSF

ZINC44651913

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 No

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) 2.08 7.01 -51.18 3 6 1 91 261.305 6
Hi High (pH 8-9.5) 2.08 5.64 -9.98 2 6 0 87 260.297 6

Activity (Go SEA)

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