UCSF

ZINC39899857

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.28 14.98 -18.81 0 6 0 57 471.601 10
Lo Low (pH 4.5-6) 6.28 15.19 -25.56 1 6 1 58 472.609 10

Activity (Go SEA)

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