UCSF

ZINC48693442

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 23 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) 2.34 5.73 -38.11 3 5 1 63 344.838 7
Hi High (pH 8-9.5) 2.53 4.36 -38.51 2 5 0 69 343.83 7

Activity (Go SEA)

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