UCSF

ZINC07003464

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2006 22 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) 3.99 5.41 -11.07 2 5 0 76 340.162 4
Mid Mid (pH 6-8) 3.99 6.19 -38.03 1 5 -1 78 339.154 4

Activity (Go SEA)

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