UCSF

ZINC33838178

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 12 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) -3.35 -8.4 -47.98 7 6 1 126 180.18 5
Mid Mid (pH 6-8) -3.35 -8.75 -12.14 6 6 0 124 179.172 5

Activity (Go SEA)

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