UCSF

ZINC49737487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 2.98 5.92 -40.2 2 4 1 51 291.481 9
Hi High (pH 8-9.5) 2.98 4.18 -8.74 1 4 0 49 290.473 9

Activity (Go SEA)

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