UCSF

ZINC49707125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 24 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) 0.81 0.31 -19.72 1 7 0 87 375.516 7
Mid Mid (pH 6-8) 0.81 2.51 -62.13 2 7 1 88 376.524 7

Activity (Go SEA)

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