UCSF

ZINC69237404

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 Yes

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) 2.77 8.28 -120.45 4 2 2 32 260.425 5
Hi High (pH 8-9.5) 2.77 6.11 -1.76 2 2 0 29 258.409 5
Mid Mid (pH 6-8) 2.77 6.44 -42.97 3 2 1 31 259.417 5
Mid Mid (pH 6-8) 2.77 7.98 -32.54 3 2 1 30 259.417 5

Activity (Go SEA)

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