UCSF

ZINC33317694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 31 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) 3.45 12 -16.88 0 6 0 57 419.525 8
Mid Mid (pH 6-8) 3.45 12.52 -31.3 1 6 1 58 420.533 8

Activity (Go SEA)

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