UCSF

ZINC31867166

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 3.83 11.89 -47.52 2 5 1 59 441.646 7
Hi High (pH 8-9.5) 3.83 9.65 -11.19 1 5 0 58 440.638 7

Activity (Go SEA)

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