UCSF

ZINC06142759

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 30 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) 4.03 11.04 -17.79 1 7 0 89 410.518 10
Mid Mid (pH 6-8) 4.03 11.45 -31.56 2 7 1 91 411.526 10

Activity (Go SEA)

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