UCSF

ZINC48332399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 22 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) 1.81 7.8 -12.51 1 4 0 49 293.37 3
Lo Low (pH 4.5-6) 1.81 8.26 -38.64 2 4 1 50 294.378 3

Activity (Go SEA)

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