UCSF

ZINC39828058

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2010 38 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) 3.73 11.43 -72.37 1 9 0 102 526.63 14
Lo Low (pH 4.5-6) 3.73 10.67 -56.58 2 9 1 99 527.638 14

Activity (Go SEA)

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