UCSF

ZINC77144851

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2012 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) 2.54 8.16 -48.87 2 6 1 72 366.47 4
Mid Mid (pH 6-8) 2.54 6.24 -13.87 1 6 0 71 365.462 4

Activity (Go SEA)

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