UCSF

ZINC42776344

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 1.07 6.71 -50.09 1 4 1 42 281.298 6
Mid Mid (pH 6-8) 1.07 4.84 -11.82 0 4 0 41 280.29 6

Activity (Go SEA)

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