UCSF

ZINC01177600

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 32 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) 3.90 5.36 -47.93 1 7 -1 104 447.854 5
Hi High (pH 8-9.5) 3.90 6.12 -103.68 0 7 -2 107 446.846 5

Activity (Go SEA)

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