UCSF

ZINC49721357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 26 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) 3.23 10.89 -14.8 0 4 0 42 344.414 4
Lo Low (pH 4.5-6) 3.23 11.35 -33.67 1 4 1 44 345.422 4

Activity (Go SEA)

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