UCSF

ZINC49751328

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 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) 2.87 9.48 -56.5 2 5 1 67 330.452 8
Hi High (pH 8-9.5) 2.87 7.24 -13.45 1 5 0 65 329.444 8

Activity (Go SEA)

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