UCSF

ZINC60676992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2011 20 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) 3.14 7.24 -7.08 0 3 0 24 292.448 3
Lo Low (pH 4.5-6) 3.14 9.46 -43.83 1 3 1 25 293.456 3

Activity (Go SEA)

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