UCSF

ZINC38138005

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.53 7.86 -132.15 2 11 -2 171 471.495 9
Lo Low (pH 4.5-6) -1.53 5.82 -72.15 3 11 -1 168 472.503 9

Activity (Go SEA)

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