UCSF

ZINC10237391

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 25 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) 4.18 9.02 -25.41 2 5 0 52 341.431 7
Mid Mid (pH 6-8) 4.18 8.95 -11.62 1 5 0 51 340.423 7

Activity (Go SEA)

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