UCSF

ZINC39726477

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 28 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) 2.96 6.73 -18.43 1 6 0 75 402.564 4
Lo Low (pH 4.5-6) 2.96 8.99 -41.35 2 6 1 76 403.572 4

Activity (Go SEA)

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