UCSF

ZINC05504569

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

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) 3.08 8.45 -14.06 1 6 0 73 372.428 3
Mid Mid (pH 6-8) 3.08 9.18 -46.7 0 6 -1 76 371.42 3

Activity (Go SEA)

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