UCSF

ZINC01290339

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 20 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) 4.77 7.65 -15.95 1 3 0 46 302.424 3
Hi High (pH 8-9.5) 5.22 6.41 -47.17 0 3 -1 49 301.416 3

Activity (Go SEA)

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