UCSF

ZINC04612609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 25 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) 4.86 13.52 -108.72 3 2 2 21 338.539 8
Mid Mid (pH 6-8) 4.86 12.36 -34.06 2 2 1 16 337.531 8

Activity (Go SEA)

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