UCSF

ZINC12007209

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 35 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) 3.36 8.94 -44.37 1 11 -1 137 478.485 9
Mid Mid (pH 6-8) 2.90 10.34 -15.76 2 11 0 134 479.493 9

Activity (Go SEA)

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