UCSF

ZINC07154264

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2006 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) 4.62 7.54 -47.58 1 7 -1 96 398.512 9
Mid Mid (pH 6-8) 4.17 9.48 -15.05 2 7 0 93 399.52 9

Activity (Go SEA)

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