UCSF

ZINC39847523

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 No

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) 2.39 9.46 -75.94 1 7 0 87 431.492 7
Lo Low (pH 4.5-6) 2.39 8.71 -55.33 2 7 1 84 432.5 7

Activity (Go SEA)

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