UCSF

ZINC07264100

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2006 21 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) 3.42 9.67 -8.31 1 2 0 29 279.383 2
Mid Mid (pH 6-8) 4.39 8.46 -29.69 2 2 1 34 280.391 2

Activity (Go SEA)

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