UCSF

ZINC66532549

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2011 22 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) 2.98 8.88 -36.61 1 6 1 69 307.37 3
Hi High (pH 8-9.5) 2.98 6.87 -6.44 0 6 0 68 306.362 3

Activity (Go SEA)

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