UCSF

ZINC16446433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 23 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) 1.23 2.93 -10.3 2 6 0 71 319.405 5
Lo Low (pH 4.5-6) 1.23 5.13 -40.97 3 6 1 72 320.413 5

Activity (Go SEA)

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