UCSF

ZINC31897861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 5.46 15.1 -55.07 1 5 1 49 442.649 9
Mid Mid (pH 6-8) 5.46 12.98 -15.8 0 5 0 47 441.641 9

Activity (Go SEA)

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