UCSF

ZINC39898864

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 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) 5.71 11.06 -9.94 2 6 0 78 473.96 7
Mid Mid (pH 6-8) 5.71 11.82 -46.08 1 6 -1 81 472.952 7

Activity (Go SEA)

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