UCSF

ZINC12081166

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 26 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) 4.00 8.71 -8.96 1 5 0 59 413.688 4
Hi High (pH 8-9.5) 4.18 7.18 -32.73 0 5 -1 65 412.68 4

Activity (Go SEA)

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