UCSF

ZINC57744064

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 28 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) 2.81 8.66 -78.88 3 6 0 80 380.468 8
Mid Mid (pH 6-8) 2.81 8.59 -13.24 2 6 0 79 379.46 8

Activity (Go SEA)

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