UCSF

ZINC04736551

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 19 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) 3.30 9.46 -46.48 0 4 -1 40 276.385 5
Mid Mid (pH 6-8) 2.57 9.54 -13.76 1 4 0 43 277.393 5

Activity (Go SEA)

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