UCSF

ZINC23317673

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 31 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) 3.36 8.65 -11.41 1 6 0 58 418.541 8
Mid Mid (pH 6-8) 3.36 10.87 -51.93 2 6 1 59 419.549 8

Activity (Go SEA)

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