UCSF

ZINC43053791

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 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) 3.93 8.9 -32.77 1 2 1 8 265.465 3
Mid Mid (pH 6-8) 3.93 11.12 -103.78 2 2 2 9 266.473 3

Activity (Go SEA)

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