UCSF

ZINC04477932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 21 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) 2.86 6.83 -46.21 3 3 1 49 281.379 2
Mid Mid (pH 6-8) 2.86 5.64 -6.64 2 3 0 45 280.371 2

Activity (Go SEA)

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