UCSF

ZINC01291004

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) 5.36 9.39 -17.39 2 5 0 75 427.595 6
Mid Mid (pH 6-8) 5.81 8.15 -48.26 1 5 -1 78 426.587 6

Activity (Go SEA)

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