UCSF

ZINC49945263

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 19 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) 2.31 8.16 -12.87 0 3 0 33 274.751 4
Lo Low (pH 4.5-6) 2.31 8.63 -36.66 1 3 1 34 275.759 4

Activity (Go SEA)

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