UCSF

ZINC39763723

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 2.99 7.07 -27.9 1 7 0 84 434.521 7
Lo Low (pH 4.5-6) 2.99 9.35 -54.37 2 7 1 86 435.529 7

Activity (Go SEA)

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