UCSF

ZINC48532143

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) 4.01 6.76 -13.08 1 4 0 56 330.767 4
Hi High (pH 8-9.5) 4.01 7.68 -56.99 0 4 -1 59 329.759 4

Activity (Go SEA)

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