UCSF

ZINC42860466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.25 0.25 -10.98 3 7 0 97 311.725 4
Hi High (pH 8-9.5) 2.44 -2.4 -41.61 2 7 -1 103 310.717 4

Activity (Go SEA)

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