UCSF

ZINC48590793

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 26 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) 0.17 4.76 -12.72 2 7 0 91 354.41 7
Lo Low (pH 4.5-6) 0.17 5.21 -43.01 3 7 1 93 355.418 7

Activity (Go SEA)

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