UCSF

ZINC01290381

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 29 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) 5.65 10.58 -17.01 1 5 0 66 427.595 5
Mid Mid (pH 6-8) 6.11 9.34 -48.07 0 5 -1 69 426.587 5

Activity (Go SEA)

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