UCSF

ZINC09807413

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 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) 5.05 9.57 -20.36 1 4 0 70 381.507 4
Mid Mid (pH 6-8) 5.05 10.08 -14.89 1 4 0 70 381.507 4
Mid Mid (pH 6-8) 5.51 8.34 -47.1 0 4 -1 73 380.499 4

Activity (Go SEA)

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