UCSF

ZINC45859634

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) -0.91 3.8 -27.11 1 7 0 83 290.323 5
Lo Low (pH 4.5-6) -0.91 4.21 -55.31 2 7 1 84 291.331 5

Activity (Go SEA)

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