UCSF

ZINC12081127

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 29 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) 3.97 7.21 -9.39 1 7 0 77 459.713 7
Hi High (pH 8-9.5) 4.16 5.68 -36.86 0 7 -1 83 458.705 7

Activity (Go SEA)

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