UCSF

ZINC02614445

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 33 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) 6.19 11.72 -17.91 2 5 0 75 475.639 6
Mid Mid (pH 6-8) 6.65 10.48 -48.82 1 5 -1 78 474.631 6

Activity (Go SEA)

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