UCSF

ZINC48216548

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 17 No

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) 1.43 3.45 -39.43 3 5 1 63 244.359 8
Hi High (pH 8-9.5) 1.43 1.51 -14.06 2 5 0 61 243.351 8

Activity (Go SEA)

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