UCSF

ZINC11912817

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 30 Yes

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) 1.55 -0.82 -61.47 2 7 1 77 405.526 7
Lo Low (pH 4.5-6) 1.55 -0.71 -104.66 3 7 2 78 406.534 7

Activity (Go SEA)

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