UCSF

ZINC49721337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 25 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) 2.95 10.37 -8.67 0 3 0 33 332.378 2
Lo Low (pH 4.5-6) 2.95 10.82 -45.8 1 3 1 34 333.386 2

Activity (Go SEA)

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